lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride

C136H144BrCl2F5LiMgN6O25Si- — CID 157195231

IUPAClithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride
SMILESCC.C[CH-]C.Cc1c(F)cc(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1.Cc1cc(F)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.[Cl-].[Cl-].[H-].[Li+].[Mg+2]
InChIInChI=1S/C36H43FN2O6Si.C30H29FN2O6.C22H23FN2O7.C22H19FO3.C21H16BrFO3.C3H7.C2H6.2ClH.Li.Mg.H/c1-19-15-25(37)23-16-22-17-24-29(39(6)7)31-28(34(38-44-31)43-18-21-13-11-10-12-14-21)33(42)36(24,45-46(8,9)35(3,4)5)32(41)27(22)30(40)26(23)20(19)2;1-14-10-20(31)18-11-17-12-19-24(33(3)4)26-23(29(32-39-26)38-13-16-8-6-5-7-9-16)28(36)30(19,37)27(35)22(17)25(34)21(18)15(14)2;1-7-4-11(23)9-5-8-6-10-15(25(2)3)18(28)14(21(24)31)20(30)22(10,32)19(29)12(8)17(27)13(9)16(7)26;1-15-13-19(23)16(2)20(22(24)26-18-11-7-4-8-12-18)21(15)25-14-17-9-5-3-6-10-17;1-14-18(23)12-17(22)20(25-13-15-8-4-2-5-9-15)19(14)21(24)26-16-10-6-3-7-11-16;1-3-2;1-2;;;;;/h10-15,22,24,29,40H,16-18H2,1-9H3;5-10,17,19,24,34,37H,11-13H2,1-4H3;4,8,10,15,26-27,30,32H,5-6H2,1-3H3,(H2,24,31);3-13H,14H2,1-2H3;2-12H,13H2,1H3;3H,1-2H3;1-2H3;2*1H;;;/q;;;;;-1;;;;+1;+2;-1/p-2/t22-,24-,29-,36-;17-,19-,24-,30-;8-,10-,15-,22-;;;;;;;;;/m000........./s1
InChIKeySZNGIAQLCKZAGS-HKJXUWHASA-L
MW2567.80 g/mol
LogP15.92
Rot. Bonds22

About lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride

lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride (PubChem CID 157195231) has the molecular formula C136H144BrCl2F5LiMgN6O25Si- and a molecular weight of 2567.80 g/mol. Its IUPAC name is lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride.

Molecular Properties

Compound Namelithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride
PubChem CID157195231
Molecular FormulaC136H144BrCl2F5LiMgN6O25Si-
Molecular Weight2567.80 g/mol
Exact Mass2563.84
IUPAC Namelithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride
SMILESCC.C[CH-]C.Cc1c(F)cc(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1.Cc1cc(F)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.[Cl-].[Cl-].[H-].[Li+].[Mg+2]
InChIInChI=1S/C36H43FN2O6Si.C30H29FN2O6.C22H23FN2O7.C22H19FO3.C21H16BrFO3.C3H7.C2H6.2ClH.Li.Mg.H/c1-19-15-25(37)23-16-22-17-24-29(39(6)7)31-28(34(38-44-31)43-18-21-13-11-10-12-14-21)33(42)36(24,45-46(8,9)35(3,4)5)32(41)27(22)30(40)26(23)20(19)2;1-14-10-20(31)18-11-17-12-19-24(33(3)4)26-23(29(32-39-26)38-13-16-8-6-5-7-9-16)28(36)30(19,37)27(35)22(17)25(34)21(18)15(14)2;1-7-4-11(23)9-5-8-6-10-15(25(2)3)18(28)14(21(24)31)20(30)22(10,32)19(29)12(8)17(27)13(9)16(7)26;1-15-13-19(23)16(2)20(22(24)26-18-11-7-4-8-12-18)21(15)25-14-17-9-5-3-6-10-17;1-14-18(23)12-17(22)20(25-13-15-8-4-2-5-9-15)19(14)21(24)26-16-10-6-3-7-11-16;1-3-2;1-2;;;;;/h10-15,22,24,29,40H,16-18H2,1-9H3;5-10,17,19,24,34,37H,11-13H2,1-4H3;4,8,10,15,26-27,30,32H,5-6H2,1-3H3,(H2,24,31);3-13H,14H2,1-2H3;2-12H,13H2,1H3;3H,1-2H3;1-2H3;2*1H;;;/q;;;;;-1;;;;+1;+2;-1/p-2/t22-,24-,29-,36-;17-,19-,24-,30-;8-,10-,15-,22-;;;;;;;;;/m000........./s1
InChIKeySZNGIAQLCKZAGS-HKJXUWHASA-L
XLogP15.92
TPSA447.65 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.80
LogP ≤ 515.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride with MolForge

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Related Compounds

(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate
CID 161190093
(1R,3S,4S,11S)-18-bromo-11-[tert-butyl(dimethyl)silyl]oxy-4,19-bis(dimethylamino)-14-hydroxy-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione
CID 72712380
(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4,19-bis(dimethylamino)-18-[(dimethylamino)methyl]-14-hydroxy-16-methyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione
CID 67818211
(1R,3S,4S,11S)-19-bromo-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-14-hydroxy-16-methyl-17-(4-methylpentyl)-18-(2-methylpropylamino)-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione
CID 153203548
(14R,16S,17S,24S)-24-[tert-butyl(dimethyl)silyl]oxy-17-(dimethylamino)-2,4-dihydroxy-23,25-dioxo-21-phenylmethoxy-11-prop-2-enoxy-19-oxa-20-azahexacyclo[12.11.0.03,12.05,10.016,24.018,22]pentacosa-1,3,5(10),6,8,11,18(22),20-octaene-7-carbaldehyde
CID 53259385
(4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(dimethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione;(1R,3S,4S,11S,21R)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-14-hydroxy-16,21-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;phenyl 2-ethyl-6-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate
CID 159922468
(1R,3S,4S,11S)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-18-fluoro-11,14,16-trihydroxy-10,12-dioxo-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-17-carboxamide
CID 126598037
butyl (1R,3S,4S,11S)-4-(dimethylamino)-18-fluoro-11,14,16-trihydroxy-10,12-dioxo-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-17-carboxylate
CID 126598032
(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-18-[2-(methylamino)ethyl]-17-(2-methylpropylamino)-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione
CID 67817732
(1R,3S,4S,11S)-19-chloro-4-(dimethylamino)-17-fluoro-11,14-dihydroxy-10,12-dioxo-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-18-carbaldehyde
CID 126598196
tert-butyl [(14R,16S,17S,24S)-24-[tert-butyl(dimethyl)silyl]oxy-17-(dimethylamino)-2-hydroxy-23,25-dioxo-7-phenyl-21-phenylmethoxy-19-oxa-20-azahexacyclo[12.11.0.03,12.05,10.016,24.018,22]pentacosa-1,3(12),4,6,8,10,18(22),20-octaen-4-yl] carbonate
CID 53260876
(1R,3S,4S,11S)-4-(azetidin-1-yl)-19-fluoro-11,14-dihydroxy-17-methyl-8,16-bis(phenylmethoxy)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione
CID 121288047

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride?
The IUPAC name of lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride (CID 157195231) is lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride.
What is the SMILES notation for lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride?
The canonical SMILES for lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride is CC.C[CH-]C.Cc1c(F)cc(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1.Cc1cc(F)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1C)C(O)=C1C(=O)[C@]3(O[Si](C)(C)C(C)(C)C)C(=O)c4c(OCc5ccccc5)noc4[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.Cc1cc(F)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.[Cl-].[Cl-].[H-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride?
The InChIKey is SZNGIAQLCKZAGS-HKJXUWHASA-L. The full InChI is InChI=1S/C36H43FN2O6Si.C30H29FN2O6.C22H23FN2O7.C22H19FO3.C21H16BrFO3.C3H7.C2H6.2ClH.Li.Mg.H/c1-19-15-25(37)23-16-22-17-24-29(39(6)7)31-28(34(38-44-31)43-18-21-13-11-10-12-14-21)33(42)36(24,45-46(8,9)35(3,4)5)32(41)27(22)30(40)26(23)20(19)2;1-14-10-20(31)18-11-17-12-19-24(33(3)4)26-23(29(32-39-26)38-13-16-8-6-5-7-9-16)28(36)30(19,37)27(35)22(17)25(34)21(18)15(14)2;1-7-4-11(23)9-5-8-6-10-15(25(2)3)18(28)14(21(24)31)20(30)22(10,32)19(29)12(8)17(27)13(9)16(7)26;1-15-13-19(23)16(2)20(22(24)26-18-11-7-4-8-12-18)21(15)25-14-17-9-5-3-6-10-17;1-14-18(23)12-17(22)20(25-13-15-8-4-2-5-9-15)19(14)21(24)26-16-10-6-3-7-11-16;1-3-2;1-2;;;;;/h10-15,22,24,29,40H,16-18H2,1-9H3;5-10,17,19,24,34,37H,11-13H2,1-4H3;4,8,10,15,26-27,30,32H,5-6H2,1-3H3,(H2,24,31);3-13H,14H2,1-2H3;2-12H,13H2,1H3;3H,1-2H3;1-2H3;2*1H;;;/q;;;;;-1;;;;+1;+2;-1/p-2/t22-,24-,29-,36-;17-,19-,24-,30-;8-,10-,15-,22-;;;;;;;;;/m000........./s1.
What are the key properties of lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride?
lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride has a molecular weight of 2567.80 g/mol, XLogP of 15.92, 22 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(1R,3S,4S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-19-fluoro-14-hydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;(1R,3S,4S,11S)-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-16,17-dimethyl-8-phenylmethoxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione;ethane;hydride;phenyl 5-bromo-3-fluoro-2-methyl-6-phenylmethoxybenzoate;phenyl 3-fluoro-2,5-dimethyl-6-phenylmethoxybenzoate;propane;dichloride is sourced from PubChem (CID 157195231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).