(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane

C130H175F3N16O18S3 — CID 161163694

IUPAC(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane
SMILESC.C.C.C.C.C.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21
InChIInChI=1S/C42H52N6O7S.C42H52N6O6S.C40H47F3N4O5S.6CH4/c1-44(2)56(52,53)43-37(49)28-9-11-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)10-12-30(32)36(48)35(31)27-7-5-4-6-8-27)38(50)46-22-40-13-14-41(40,23-46)25-47(24-40)39(51)45-15-17-55-18-16-45;1-44(2)55(52,53)43-37(49)28-11-13-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)12-14-30(32)36(48)35(31)27-9-5-4-6-10-27)38(50)46-22-40-15-16-41(40,23-46)25-47(24-40)39(51)45-17-7-8-18-45;1-24(2)53(50,51)44-35(48)26-9-11-29-32(15-26)47-22-39(36(49)46-20-37-13-14-38(37,21-46)19-45(18-37)23-40(41,42)43)17-31(39)30-16-27(52-3)10-12-28(30)34(47)33(29)25-7-5-4-6-8-25;;;;;;/h9-12,19-20,27,33H,4-8,13-18,21-26H2,1-3H3,(H,43,49);11-14,19-20,27,33H,4-10,15-18,21-26H2,1-3H3,(H,43,49);9-12,15-16,24-25,31H,4-8,13-14,17-23H2,1-3H3,(H,44,48);6*1H4/t2*33-,40?,41?,42-;31-,37?,38?,39-;;;;;;/m000....../s1
InChIKeyUQGDLFUOILMDJC-SBSAPEKVSA-N
MW2403.12 g/mol
LogP20.92
Rot. Bonds19

About (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane

(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane (PubChem CID 161163694) has the molecular formula C130H175F3N16O18S3 and a molecular weight of 2403.12 g/mol. Its IUPAC name is (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane.

Molecular Properties

Compound Name(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane
PubChem CID161163694
Molecular FormulaC130H175F3N16O18S3
Molecular Weight2403.12 g/mol
Exact Mass2401.24
IUPAC Name(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane
SMILESC.C.C.C.C.C.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21
InChIInChI=1S/C42H52N6O7S.C42H52N6O6S.C40H47F3N4O5S.6CH4/c1-44(2)56(52,53)43-37(49)28-9-11-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)10-12-30(32)36(48)35(31)27-7-5-4-6-8-27)38(50)46-22-40-13-14-41(40,23-46)25-47(24-40)39(51)45-15-17-55-18-16-45;1-44(2)55(52,53)43-37(49)28-11-13-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)12-14-30(32)36(48)35(31)27-9-5-4-6-10-27)38(50)46-22-40-15-16-41(40,23-46)25-47(24-40)39(51)45-17-7-8-18-45;1-24(2)53(50,51)44-35(48)26-9-11-29-32(15-26)47-22-39(36(49)46-20-37-13-14-38(37,21-46)19-45(18-37)23-40(41,42)43)17-31(39)30-16-27(52-3)10-12-28(30)34(47)33(29)25-7-5-4-6-8-25;;;;;;/h9-12,19-20,27,33H,4-8,13-18,21-26H2,1-3H3,(H,43,49);11-14,19-20,27,33H,4-10,15-18,21-26H2,1-3H3,(H,43,49);9-12,15-16,24-25,31H,4-8,13-14,17-23H2,1-3H3,(H,44,48);6*1H4/t2*33-,40?,41?,42-;31-,37?,38?,39-;;;;;;/m000....../s1
InChIKeyUQGDLFUOILMDJC-SBSAPEKVSA-N
XLogP20.92
TPSA359.18 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002403.12
LogP ≤ 520.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane?
The IUPAC name of (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane (CID 161163694) is (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane.
What is the SMILES notation for (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane?
The canonical SMILES for (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane is C.C.C.C.C.C.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CCC3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21.
What is the InChIKey of (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane?
The InChIKey is UQGDLFUOILMDJC-SBSAPEKVSA-N. The full InChI is InChI=1S/C42H52N6O7S.C42H52N6O6S.C40H47F3N4O5S.6CH4/c1-44(2)56(52,53)43-37(49)28-9-11-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)10-12-30(32)36(48)35(31)27-7-5-4-6-8-27)38(50)46-22-40-13-14-41(40,23-46)25-47(24-40)39(51)45-15-17-55-18-16-45;1-44(2)55(52,53)43-37(49)28-11-13-31-34(19-28)48-26-42(21-33(42)32-20-29(54-3)12-14-30(32)36(48)35(31)27-9-5-4-6-10-27)38(50)46-22-40-15-16-41(40,23-46)25-47(24-40)39(51)45-17-7-8-18-45;1-24(2)53(50,51)44-35(48)26-9-11-29-32(15-26)47-22-39(36(49)46-20-37-13-14-38(37,21-46)19-45(18-37)23-40(41,42)43)17-31(39)30-16-27(52-3)10-12-28(30)34(47)33(29)25-7-5-4-6-8-25;;;;;;/h9-12,19-20,27,33H,4-8,13-18,21-26H2,1-3H3,(H,43,49);11-14,19-20,27,33H,4-10,15-18,21-26H2,1-3H3,(H,43,49);9-12,15-16,24-25,31H,4-8,13-14,17-23H2,1-3H3,(H,44,48);6*1H4/t2*33-,40?,41?,42-;31-,37?,38?,39-;;;;;;/m000....../s1.
What are the key properties of (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane?
(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane has a molecular weight of 2403.12 g/mol, XLogP of 20.92, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(morpholine-4-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[7-(pyrrolidine-1-carbonyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;(8S,10R)-19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-[7-(2,2,2-trifluoroethyl)-3,7-diazatricyclo[3.3.2.01,5]decane-3-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methane is sourced from PubChem (CID 161163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).