(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol

C206H265IN20O35 — CID 167653965

IUPAC(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol
SMILESCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC=O)cc3)C[C@@]21C.CC(C)(C)OC(=O)N1CCC(I)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(CCCCCCN(C)c5ccc([C@H]6C[C@@]7(C)C(CC[C@]7(C)C(C)=O)C7CCC8=CC(=O)CCC8=C76)cc5)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCNCC4)ccc3nc2-1.OC1CCNCC1
InChIInChI=1S/C62H77N5O7.C35H45NO5.C33H40N4O7.C28H32N4O5.C23H23N3O5.C10H18INO2.C10H19NO3.C5H11NO/c1-8-62(72)52-33-54-57-41(35-67(54)58(70)50(52)37-73-59(62)71)32-47-49(36-64(5)6)55(22-21-53(47)63-57)74-44-24-29-66(30-25-44)28-12-10-9-11-27-65(7)42-16-13-39(14-17-42)48-34-61(4)51(23-26-60(61,3)38(2)68)46-19-15-40-31-43(69)18-20-45(40)56(46)48;1-23(38)35(41-24(2)39)18-17-32-30-15-11-26-21-28(40)14-16-29(26)33(30)31(22-34(32,35)3)25-9-12-27(13-10-25)36(4)19-7-5-6-8-20-37;1-7-33(41)24-15-26-28-19(16-37(26)29(38)23(24)18-42-30(33)39)14-21-22(17-35(5)6)27(9-8-25(21)34-28)43-20-10-12-36(13-11-20)31(40)44-32(2,3)4;1-4-28(35)21-12-23-25-16(13-32(23)26(33)20(21)15-36-27(28)34)11-18-19(14-31(2)3)24(6-5-22(18)30-25)37-17-7-9-29-10-8-17;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h13-14,16-17,21-22,31-33,44,46,48,51,72H,8-12,15,18-20,23-30,34-37H2,1-7H3;9-10,12-13,20-21,30-32H,5-8,11,14-19,22H2,1-4H3;8-9,14-15,20,41H,7,10-13,16-18H2,1-6H3;5-6,11-12,17,29,35H,4,7-10,13-15H2,1-3H3;5-8,27,30H,4,9-11H2,1-3H3;8H,4-7H2,1-3H3;8,12H,4-7H2,1-3H3;5-7H,1-4H2/t46?,48-,51?,60-,61+,62+;30-,31+,32-,34-,35-;33-;28-;23-;;;/m10000.../s1
InChIKeyQZCGQHHEUODCFI-BJYAFEFCSA-N
MW3708.39 g/mol
LogP28.82
Rot. Bonds38

About (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol

(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol (PubChem CID 167653965) has the molecular formula C206H265IN20O35 and a molecular weight of 3708.39 g/mol. Its IUPAC name is (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol.

Molecular Properties

Compound Name(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol
PubChem CID167653965
Molecular FormulaC206H265IN20O35
Molecular Weight3708.39 g/mol
Exact Mass3705.86
IUPAC Name(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol
SMILESCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC=O)cc3)C[C@@]21C.CC(C)(C)OC(=O)N1CCC(I)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(CCCCCCN(C)c5ccc([C@H]6C[C@@]7(C)C(CC[C@]7(C)C(C)=O)C7CCC8=CC(=O)CCC8=C76)cc5)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCNCC4)ccc3nc2-1.OC1CCNCC1
InChIInChI=1S/C62H77N5O7.C35H45NO5.C33H40N4O7.C28H32N4O5.C23H23N3O5.C10H18INO2.C10H19NO3.C5H11NO/c1-8-62(72)52-33-54-57-41(35-67(54)58(70)50(52)37-73-59(62)71)32-47-49(36-64(5)6)55(22-21-53(47)63-57)74-44-24-29-66(30-25-44)28-12-10-9-11-27-65(7)42-16-13-39(14-17-42)48-34-61(4)51(23-26-60(61,3)38(2)68)46-19-15-40-31-43(69)18-20-45(40)56(46)48;1-23(38)35(41-24(2)39)18-17-32-30-15-11-26-21-28(40)14-16-29(26)33(30)31(22-34(32,35)3)25-9-12-27(13-10-25)36(4)19-7-5-6-8-20-37;1-7-33(41)24-15-26-28-19(16-37(26)29(38)23(24)18-42-30(33)39)14-21-22(17-35(5)6)27(9-8-25(21)34-28)43-20-10-12-36(13-11-20)31(40)44-32(2,3)4;1-4-28(35)21-12-23-25-16(13-32(23)26(33)20(21)15-36-27(28)34)11-18-19(14-31(2)3)24(6-5-22(18)30-25)37-17-7-9-29-10-8-17;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h13-14,16-17,21-22,31-33,44,46,48,51,72H,8-12,15,18-20,23-30,34-37H2,1-7H3;9-10,12-13,20-21,30-32H,5-8,11,14-19,22H2,1-4H3;8-9,14-15,20,41H,7,10-13,16-18H2,1-6H3;5-6,11-12,17,29,35H,4,7-10,13-15H2,1-3H3;5-8,27,30H,4,9-11H2,1-3H3;8H,4-7H2,1-3H3;8,12H,4-7H2,1-3H3;5-7H,1-4H2/t46?,48-,51?,60-,61+,62+;30-,31+,32-,34-,35-;33-;28-;23-;;;/m10000.../s1
InChIKeyQZCGQHHEUODCFI-BJYAFEFCSA-N
XLogP28.82
TPSA661.07 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds38
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003708.39
LogP ≤ 528.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Analyze (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol with MolForge

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Related Compounds

[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[7-[4-[(8S,11R,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]heptyl]piperazine-1-carboxylate
CID 176554091
(19S)-7-[1-[7-[4-[(11R,13S,17S)-17-acetyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]-N-methylanilino]heptyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170410813
[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-[6-hydroxyhexyl(methyl)amino]phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[6-[4-[(8S,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperazine-1-carboxylate;[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 167546126
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[6-[4-[(8S,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperazine-1-carboxylate
CID 166011574
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] (2S,5R)-4-[6-[4-[(8S,11R,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]-2,5-dimethylpiperazine-1-carboxylate
CID 170407787
[(19S)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] 4-[6-[4-[(8S,11R,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperazine-1-carboxylate
CID 174316586
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[6-[4-[(8S,11R,14S,17R)-17-acetyl-17-acetyloxy-3-oxo-2,6,7,8,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexanoyl]piperazine-1-carboxylate
CID 165146163
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] (3R)-4-[6-[4-[(8S,11R,13S,14S,17R)-17-acetyloxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]-3-methylpiperazine-1-carboxylate
CID 170414461
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[6-[4-[(8S,11R,13S,14S,17R)-17-acetyl-17-acetyloxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperazine-1-carboxylate
CID 176554667
[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl-methylamino]phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 176907319
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 175796001
[(19R)-10,19-diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[6-[4-[(8S,11R,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexanoyl]piperazine-1-carboxylate
CID 170414281

Frequently Asked Questions

What is the IUPAC name of (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol?
The IUPAC name of (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol (CID 167653965) is (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol.
What is the SMILES notation for (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol?
The canonical SMILES for (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol is CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC=O)cc3)C[C@@]21C.CC(C)(C)OC(=O)N1CCC(I)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(C(=O)OC(C)(C)C)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCN(CCCCCCN(C)c5ccc([C@H]6C[C@@]7(C)C(CC[C@]7(C)C(C)=O)C7CCC8=CC(=O)CCC8=C76)cc5)CC4)ccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OC4CCNCC4)ccc3nc2-1.OC1CCNCC1.
What is the InChIKey of (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol?
The InChIKey is QZCGQHHEUODCFI-BJYAFEFCSA-N. The full InChI is InChI=1S/C62H77N5O7.C35H45NO5.C33H40N4O7.C28H32N4O5.C23H23N3O5.C10H18INO2.C10H19NO3.C5H11NO/c1-8-62(72)52-33-54-57-41(35-67(54)58(70)50(52)37-73-59(62)71)32-47-49(36-64(5)6)55(22-21-53(47)63-57)74-44-24-29-66(30-25-44)28-12-10-9-11-27-65(7)42-16-13-39(14-17-42)48-34-61(4)51(23-26-60(61,3)38(2)68)46-19-15-40-31-43(69)18-20-45(40)56(46)48;1-23(38)35(41-24(2)39)18-17-32-30-15-11-26-21-28(40)14-16-29(26)33(30)31(22-34(32,35)3)25-9-12-27(13-10-25)36(4)19-7-5-6-8-20-37;1-7-33(41)24-15-26-28-19(16-37(26)29(38)23(24)18-42-30(33)39)14-21-22(17-35(5)6)27(9-8-25(21)34-28)43-20-10-12-36(13-11-20)31(40)44-32(2,3)4;1-4-28(35)21-12-23-25-16(13-32(23)26(33)20(21)15-36-27(28)34)11-18-19(14-31(2)3)24(6-5-22(18)30-25)37-17-7-9-29-10-8-17;1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;7-5-1-3-6-4-2-5/h13-14,16-17,21-22,31-33,44,46,48,51,72H,8-12,15,18-20,23-30,34-37H2,1-7H3;9-10,12-13,20-21,30-32H,5-8,11,14-19,22H2,1-4H3;8-9,14-15,20,41H,7,10-13,16-18H2,1-6H3;5-6,11-12,17,29,35H,4,7-10,13-15H2,1-3H3;5-8,27,30H,4,9-11H2,1-3H3;8H,4-7H2,1-3H3;8,12H,4-7H2,1-3H3;5-7H,1-4H2/t46?,48-,51?,60-,61+,62+;30-,31+,32-,34-,35-;33-;28-;23-;;;/m10000.../s1.
What are the key properties of (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol?
(19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol has a molecular weight of 3708.39 g/mol, XLogP of 28.82, 38 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-7-[1-[6-[4-[(11R,13S,17S)-17-acetyl-13,17-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N-methylanilino]hexyl]piperidin-4-yl]oxy-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-[methyl(6-oxohexyl)amino]phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;tert-butyl 4-[[(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;(19S)-8-[(dimethylamino)methyl]-19-ethyl-19-hydroxy-7-piperidin-4-yloxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;piperidin-4-ol is sourced from PubChem (CID 167653965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).