[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide

C191H299Cl7N30O61P12S — CID 160891150

IUPAC[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide
SMILESCCN(CC)CCCC(C)N(C(=O)NCCCC(=O)NC(C(=O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCC(C(=O)NC(P(=O)(O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCCC(C(=O)NC(C(=O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)SCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C=O)c1ccnc2cc(Cl)ccc12.NCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C28H45ClN4O10P2.C28H45ClN4O9P2S.C28H45ClN4O9P2.C28H40ClN4O8P.C26H39ClN4O9P2.C25H37ClN5O7P.C19H26ClN3O.C9H22N2O8P2/c1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)43-19-9-11-26(34)31-16-7-6-15-28(36,44(37,38)39)45(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)45-19-9-11-26(34)31-16-7-6-15-28(36,43(37,38)39)44(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-15-17-30-24-20-22(29)13-14-23(24)25)28(35)42-19-9-11-26(34)31-16-7-6-12-27(43(36,37)38)44(39,40)41;1-4-32(5-2)15-7-8-18(3)33(24-13-14-30-23-17-20(29)11-12-22(23)24)28(37)41-21-10-6-9-19(16-21)25(34)31-26(27(35)36)42(38,39)40;1-4-30(5-2)14-6-7-17(3)31(23-12-13-28-22-16-19(27)9-11-21(22)23)26(33)40-20-10-8-18(15-20)24(32)29-25(41(34,35)36)42(37,38)39;1-4-30(5-2)15-7-8-17(3)31(21-12-14-27-20-16-18(26)10-11-19(20)21)25(35)28-13-6-9-22(32)29-23(24(33)34)39(36,37)38;1-4-22(5-2)12-6-7-15(3)23(14-24)19-10-11-21-18-13-16(20)8-9-17(18)19;10-6-3-4-8(12)11-7-2-1-5-9(13,20(14,15)16)21(17,18)19/h2*12-14,17,20-21,36H,4-11,15-16,18-19H2,1-3H3,(H,31,34)(H2,37,38,39)(H2,40,41,42);13-15,17,20-21,27H,4-12,16,18-19H2,1-3H3,(H,31,34)(H2,36,37,38)(H2,39,40,41);11-14,17-19,21,26H,4-10,15-16H2,1-3H3,(H,31,34)(H,35,36)(H2,38,39,40);9,11-13,16-18,20,25H,4-8,10,14-15H2,1-3H3,(H,29,32)(H2,34,35,36)(H2,37,38,39);10-12,14,16-17,23H,4-9,13,15H2,1-3H3,(H,28,35)(H,29,32)(H,33,34)(H2,36,37,38);8-11,13-15H,4-7,12H2,1-3H3;13H,1-7,10H2,(H,11,12)(H2,14,15,16)(H2,17,18,19)
InChIKeySOHBMOMJADDWSH-UHFFFAOYSA-N
MW4643.57 g/mol
LogP30.27
Rot. Bonds117

About [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide

[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide (PubChem CID 160891150) has the molecular formula C191H299Cl7N30O61P12S and a molecular weight of 4643.57 g/mol. Its IUPAC name is [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide.

Molecular Properties

Compound Name[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide
PubChem CID160891150
Molecular FormulaC191H299Cl7N30O61P12S
Molecular Weight4643.57 g/mol
Exact Mass4637.56
IUPAC Name[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide
SMILESCCN(CC)CCCC(C)N(C(=O)NCCCC(=O)NC(C(=O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCC(C(=O)NC(P(=O)(O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCCC(C(=O)NC(C(=O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)SCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C=O)c1ccnc2cc(Cl)ccc12.NCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C28H45ClN4O10P2.C28H45ClN4O9P2S.C28H45ClN4O9P2.C28H40ClN4O8P.C26H39ClN4O9P2.C25H37ClN5O7P.C19H26ClN3O.C9H22N2O8P2/c1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)43-19-9-11-26(34)31-16-7-6-15-28(36,44(37,38)39)45(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)45-19-9-11-26(34)31-16-7-6-15-28(36,43(37,38)39)44(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-15-17-30-24-20-22(29)13-14-23(24)25)28(35)42-19-9-11-26(34)31-16-7-6-12-27(43(36,37)38)44(39,40)41;1-4-32(5-2)15-7-8-18(3)33(24-13-14-30-23-17-20(29)11-12-22(23)24)28(37)41-21-10-6-9-19(16-21)25(34)31-26(27(35)36)42(38,39)40;1-4-30(5-2)14-6-7-17(3)31(23-12-13-28-22-16-19(27)9-11-21(22)23)26(33)40-20-10-8-18(15-20)24(32)29-25(41(34,35)36)42(37,38)39;1-4-30(5-2)15-7-8-17(3)31(21-12-14-27-20-16-18(26)10-11-19(20)21)25(35)28-13-6-9-22(32)29-23(24(33)34)39(36,37)38;1-4-22(5-2)12-6-7-15(3)23(14-24)19-10-11-21-18-13-16(20)8-9-17(18)19;10-6-3-4-8(12)11-7-2-1-5-9(13,20(14,15)16)21(17,18)19/h2*12-14,17,20-21,36H,4-11,15-16,18-19H2,1-3H3,(H,31,34)(H2,37,38,39)(H2,40,41,42);13-15,17,20-21,27H,4-12,16,18-19H2,1-3H3,(H,31,34)(H2,36,37,38)(H2,39,40,41);11-14,17-19,21,26H,4-10,15-16H2,1-3H3,(H,31,34)(H,35,36)(H2,38,39,40);9,11-13,16-18,20,25H,4-8,10,14-15H2,1-3H3,(H,29,32)(H2,34,35,36)(H2,37,38,39);10-12,14,16-17,23H,4-9,13,15H2,1-3H3,(H,28,35)(H,29,32)(H,33,34)(H2,36,37,38);8-11,13-15H,4-7,12H2,1-3H3;13H,1-7,10H2,(H,11,12)(H2,14,15,16)(H2,17,18,19)
InChIKeySOHBMOMJADDWSH-UHFFFAOYSA-N
XLogP30.27
TPSA1359.40 Ų
H-Bond Donors38
H-Bond Acceptors51
Rotatable Bonds117
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004643.57
LogP ≤ 530.27
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1051

Analyze [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide?
The IUPAC name of [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide (CID 160891150) is [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide.
What is the SMILES notation for [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide?
The canonical SMILES for [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide is CCN(CC)CCCC(C)N(C(=O)NCCCC(=O)NC(C(=O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCC(C(=O)NC(P(=O)(O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OC1CCCC(C(=O)NC(C(=O)O)P(=O)(O)O)C1)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)OCCCC(=O)NCCCCC(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C(=O)SCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O)c1ccnc2cc(Cl)ccc12.CCN(CC)CCCC(C)N(C=O)c1ccnc2cc(Cl)ccc12.NCCCC(=O)NCCCCC(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide?
The InChIKey is SOHBMOMJADDWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45ClN4O10P2.C28H45ClN4O9P2S.C28H45ClN4O9P2.C28H40ClN4O8P.C26H39ClN4O9P2.C25H37ClN5O7P.C19H26ClN3O.C9H22N2O8P2/c1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)43-19-9-11-26(34)31-16-7-6-15-28(36,44(37,38)39)45(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-14-17-30-24-20-22(29)12-13-23(24)25)27(35)45-19-9-11-26(34)31-16-7-6-15-28(36,43(37,38)39)44(40,41)42;1-4-32(5-2)18-8-10-21(3)33(25-15-17-30-24-20-22(29)13-14-23(24)25)28(35)42-19-9-11-26(34)31-16-7-6-12-27(43(36,37)38)44(39,40)41;1-4-32(5-2)15-7-8-18(3)33(24-13-14-30-23-17-20(29)11-12-22(23)24)28(37)41-21-10-6-9-19(16-21)25(34)31-26(27(35)36)42(38,39)40;1-4-30(5-2)14-6-7-17(3)31(23-12-13-28-22-16-19(27)9-11-21(22)23)26(33)40-20-10-8-18(15-20)24(32)29-25(41(34,35)36)42(37,38)39;1-4-30(5-2)15-7-8-17(3)31(21-12-14-27-20-16-18(26)10-11-19(20)21)25(35)28-13-6-9-22(32)29-23(24(33)34)39(36,37)38;1-4-22(5-2)12-6-7-15(3)23(14-24)19-10-11-21-18-13-16(20)8-9-17(18)19;10-6-3-4-8(12)11-7-2-1-5-9(13,20(14,15)16)21(17,18)19/h2*12-14,17,20-21,36H,4-11,15-16,18-19H2,1-3H3,(H,31,34)(H2,37,38,39)(H2,40,41,42);13-15,17,20-21,27H,4-12,16,18-19H2,1-3H3,(H,31,34)(H2,36,37,38)(H2,39,40,41);11-14,17-19,21,26H,4-10,15-16H2,1-3H3,(H,31,34)(H,35,36)(H2,38,39,40);9,11-13,16-18,20,25H,4-8,10,14-15H2,1-3H3,(H,29,32)(H2,34,35,36)(H2,37,38,39);10-12,14,16-17,23H,4-9,13,15H2,1-3H3,(H,28,35)(H,29,32)(H,33,34)(H2,36,37,38);8-11,13-15H,4-7,12H2,1-3H3;13H,1-7,10H2,(H,11,12)(H2,14,15,16)(H2,17,18,19).
What are the key properties of [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide?
[5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide has a molecular weight of 4643.57 g/mol, XLogP of 30.27, 117 rotatable bonds, 38 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminobutanoylamino)-1-hydroxy-1-phosphonopentyl]phosphonic acid;2-[4-[[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]amino]butanoylamino]-2-phosphonoacetic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopentyl]phosphonic acid;2-[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclohexanecarbonyl]amino]-2-phosphonoacetic acid;[[[3-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxycyclopentanecarbonyl]amino]-phosphonomethyl]phosphonic acid;[5-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]sulfanylbutanoylamino]-1-hydroxy-1-phosphonopentyl]phosphonic acid;N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]formamide is sourced from PubChem (CID 160891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).