(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

C133H156F4N12O21S5 — CID 157300943

IUPAC(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCOc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](Nc5cccc(OC(F)(F)F)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](Cc5cccc(C)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.Cc1cc(C[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)CC(=O)[C@@H]3C[C@@H](OC4=NC=CC5C=CC=CC45)CN3C2=O)ccc1F
InChIInChI=1S/C47H54F3N5O8S2.C47H56N4O7S2.C39H46FN3O6S/c1-27(2)36-26-64-42(53-36)35-22-40(33-16-17-39(61-5)28(3)41(33)52-35)62-32-21-37-38(56)24-46(44(58)54-65(59,60)45(4)18-19-45)23-29(46)12-9-7-6-8-10-15-34(43(57)55(37)25-32)51-30-13-11-14-31(20-30)63-47(48,49)50;1-28(2)38-27-59-44(49-38)37-23-42(36-18-19-41(57-5)30(4)43(36)48-37)58-34-22-39-40(52)25-47(46(54)50-60(55,56)35-16-17-35)24-33(47)15-10-8-6-7-9-14-32(45(53)51(39)26-34)21-31-13-11-12-29(3)20-31;1-25-19-26(13-16-33(25)40)20-28-10-5-3-2-4-6-11-29-22-39(29,38(46)42-50(47,48)31-14-15-31)23-35(44)34-21-30(24-43(34)37(28)45)49-36-32-12-8-7-9-27(32)17-18-41-36/h9,11-14,16-17,20,22,26-27,29,32,34,37,51H,6-8,10,15,18-19,21,23-25H2,1-5H3,(H,54,58);10-13,15,18-20,23,27-28,32-35,39H,6-9,14,16-17,21-22,24-26H2,1-5H3,(H,50,54);6-9,11-13,16-19,27-32,34H,2-5,10,14-15,20-24H2,1H3,(H,42,46)/b12-9-;15-10-;11-6-/t29-,32-,34+,37+,46-;32-,33-,34-,39+,47-;27?,28-,29-,30-,32?,34+,39-/m111/s1
InChIKeyBBWVAEYBXBEUPW-IZLZEPBPSA-N
MW2495.10 g/mol
LogP23.08
Rot. Bonds27

About (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 157300943) has the molecular formula C133H156F4N12O21S5 and a molecular weight of 2495.10 g/mol. Its IUPAC name is (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound Name(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID157300943
Molecular FormulaC133H156F4N12O21S5
Molecular Weight2495.10 g/mol
Exact Mass2493.00
IUPAC Name(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCOc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](Nc5cccc(OC(F)(F)F)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](Cc5cccc(C)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.Cc1cc(C[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)CC(=O)[C@@H]3C[C@@H](OC4=NC=CC5C=CC=CC45)CN3C2=O)ccc1F
InChIInChI=1S/C47H54F3N5O8S2.C47H56N4O7S2.C39H46FN3O6S/c1-27(2)36-26-64-42(53-36)35-22-40(33-16-17-39(61-5)28(3)41(33)52-35)62-32-21-37-38(56)24-46(44(58)54-65(59,60)45(4)18-19-45)23-29(46)12-9-7-6-8-10-15-34(43(57)55(37)25-32)51-30-13-11-14-31(20-30)63-47(48,49)50;1-28(2)38-27-59-44(49-38)37-23-42(36-18-19-41(57-5)30(4)43(36)48-37)58-34-22-39-40(52)25-47(46(54)50-60(55,56)35-16-17-35)24-33(47)15-10-8-6-7-9-14-32(45(53)51(39)26-34)21-31-13-11-12-29(3)20-31;1-25-19-26(13-16-33(25)40)20-28-10-5-3-2-4-6-11-29-22-39(29,38(46)42-50(47,48)31-14-15-31)23-35(44)34-21-30(24-43(34)37(28)45)49-36-32-12-8-7-9-27(32)17-18-41-36/h9,11-14,16-17,20,22,26-27,29,32,34,37,51H,6-8,10,15,18-19,21,23-25H2,1-5H3,(H,54,58);10-13,15,18-20,23,27-28,32-35,39H,6-9,14,16-17,21-22,24-26H2,1-5H3,(H,50,54);6-9,11-13,16-19,27-32,34H,2-5,10,14-15,20-24H2,1H3,(H,42,46)/b12-9-;15-10-;11-6-/t29-,32-,34+,37+,46-;32-,33-,34-,39+,47-;27?,28-,29-,30-,32?,34+,39-/m111/s1
InChIKeyBBWVAEYBXBEUPW-IZLZEPBPSA-N
XLogP23.08
TPSA433.19 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002495.10
LogP ≤ 523.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The IUPAC name of (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 157300943) is (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.
What is the SMILES notation for (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The canonical SMILES for (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](Nc5cccc(OC(F)(F)F)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](Cc5cccc(C)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.Cc1cc(C[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)CC(=O)[C@@H]3C[C@@H](OC4=NC=CC5C=CC=CC45)CN3C2=O)ccc1F.
What is the InChIKey of (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The InChIKey is BBWVAEYBXBEUPW-IZLZEPBPSA-N. The full InChI is InChI=1S/C47H54F3N5O8S2.C47H56N4O7S2.C39H46FN3O6S/c1-27(2)36-26-64-42(53-36)35-22-40(33-16-17-39(61-5)28(3)41(33)52-35)62-32-21-37-38(56)24-46(44(58)54-65(59,60)45(4)18-19-45)23-29(46)12-9-7-6-8-10-15-34(43(57)55(37)25-32)51-30-13-11-14-31(20-30)63-47(48,49)50;1-28(2)38-27-59-44(49-38)37-23-42(36-18-19-41(57-5)30(4)43(36)48-37)58-34-22-39-40(52)25-47(46(54)50-60(55,56)35-16-17-35)24-33(47)15-10-8-6-7-9-14-32(45(53)51(39)26-34)21-31-13-11-12-29(3)20-31;1-25-19-26(13-16-33(25)40)20-28-10-5-3-2-4-6-11-29-22-39(29,38(46)42-50(47,48)31-14-15-31)23-35(44)34-21-30(24-43(34)37(28)45)49-36-32-12-8-7-9-27(32)17-18-41-36/h9,11-14,16-17,20,22,26-27,29,32,34,37,51H,6-8,10,15,18-19,21,23-25H2,1-5H3,(H,54,58);10-13,15,18-20,23,27-28,32-35,39H,6-9,14,16-17,21-22,24-26H2,1-5H3,(H,50,54);6-9,11-13,16-19,27-32,34H,2-5,10,14-15,20-24H2,1H3,(H,42,46)/b12-9-;15-10-;11-6-/t29-,32-,34+,37+,46-;32-,33-,34-,39+,47-;27?,28-,29-,30-,32?,34+,39-/m111/s1.
What are the key properties of (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
(1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 2495.10 g/mol, XLogP of 23.08, 27 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7Z,14R,18R)-18-(4a,8a-dihydroisoquinolin-1-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluoro-3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14R,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,14S,18R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 157300943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).