(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid

C257H300N26O32S8 — CID 157445506

IUPAC(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1COC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOC1)C2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C34H41N3O4S.2C33H39N3O4S.3C32H37N3O4S.C31H36N4O4S.C30H34N4O4S/c1-22-4-3-5-29(30-21-42-33(35-30)37-15-12-34(32(38)39)18-26(34)19-37)31(22)41-20-25-7-6-24-8-13-36(14-9-28(24)23(25)2)27-10-16-40-17-11-27;1-21-4-3-5-28(29-20-41-32(34-29)36-14-11-33(31(37)38)16-25(33)17-36)30(21)40-18-24-7-6-23-8-12-35(26-10-15-39-19-26)13-9-27(23)22(24)2;1-22-3-2-4-28(29-21-41-32(34-29)36-14-11-33(31(37)38)18-26(33)19-36)30(22)40-20-23-5-6-24-7-12-35(13-8-25(24)17-23)27-9-15-39-16-10-27;1-20-4-3-5-27(28-19-40-31(33-28)35-13-10-32(30(36)37)14-24(32)15-35)29(20)39-16-23-7-6-22-8-11-34(25-17-38-18-25)12-9-26(22)21(23)2;1-21-2-5-29(27(14-21)28-20-40-31(33-28)35-11-9-32(30(36)37)16-25(32)18-35)39-19-22-3-4-24-17-34(10-6-23(24)15-22)26-7-12-38-13-8-26;1-21-3-2-4-27(28-20-40-31(33-28)35-13-10-32(30(36)37)16-25(32)17-35)29(21)39-18-22-5-6-23-7-11-34(12-8-24(23)15-22)26-9-14-38-19-26;1-20-3-2-4-25(27-19-40-30(33-27)35-10-8-31(29(36)37)14-23(31)16-35)28(20)39-18-21-13-22-5-9-34(17-26(22)32-15-21)24-6-11-38-12-7-24;1-19-3-2-4-24(26-18-39-29(32-26)34-9-7-30(28(35)36)12-22(30)14-34)27(19)38-16-20-11-21-5-8-33(15-25(21)31-13-20)23-6-10-37-17-23/h3-7,21,26-27H,8-20H2,1-2H3,(H,38,39);3-7,20,25-26H,8-19H2,1-2H3,(H,37,38);2-6,17,21,26-27H,7-16,18-20H2,1H3,(H,37,38);3-7,19,24-25H,8-18H2,1-2H3,(H,36,37);2-5,14-15,20,25-26H,6-13,16-19H2,1H3,(H,36,37);2-6,15,20,25-26H,7-14,16-19H2,1H3,(H,36,37);2-4,13,15,19,23-24H,5-12,14,16-18H2,1H3,(H,36,37);2-4,11,13,18,22-23H,5-10,12,14-17H2,1H3,(H,35,36)/t26-,34+;25-,26?,33+;26-,33+;24-,32+;25-,32+;25-,26?,32+;23-,31+;22-,23?,30+/m00000000/s1
InChIKeyBSECNWMEHYMEEG-LUMXIZELSA-N
MW4521.91 g/mol
LogP42.26
Rot. Bonds56

About (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid

(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid (PubChem CID 157445506) has the molecular formula C257H300N26O32S8 and a molecular weight of 4521.91 g/mol. Its IUPAC name is (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
PubChem CID157445506
Molecular FormulaC257H300N26O32S8
Molecular Weight4521.91 g/mol
Exact Mass4518.04
IUPAC Name(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1COC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOC1)C2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C34H41N3O4S.2C33H39N3O4S.3C32H37N3O4S.C31H36N4O4S.C30H34N4O4S/c1-22-4-3-5-29(30-21-42-33(35-30)37-15-12-34(32(38)39)18-26(34)19-37)31(22)41-20-25-7-6-24-8-13-36(14-9-28(24)23(25)2)27-10-16-40-17-11-27;1-21-4-3-5-28(29-20-41-32(34-29)36-14-11-33(31(37)38)16-25(33)17-36)30(21)40-18-24-7-6-23-8-12-35(26-10-15-39-19-26)13-9-27(23)22(24)2;1-22-3-2-4-28(29-21-41-32(34-29)36-14-11-33(31(37)38)18-26(33)19-36)30(22)40-20-23-5-6-24-7-12-35(13-8-25(24)17-23)27-9-15-39-16-10-27;1-20-4-3-5-27(28-19-40-31(33-28)35-13-10-32(30(36)37)14-24(32)15-35)29(20)39-16-23-7-6-22-8-11-34(25-17-38-18-25)12-9-26(22)21(23)2;1-21-2-5-29(27(14-21)28-20-40-31(33-28)35-11-9-32(30(36)37)16-25(32)18-35)39-19-22-3-4-24-17-34(10-6-23(24)15-22)26-7-12-38-13-8-26;1-21-3-2-4-27(28-20-40-31(33-28)35-13-10-32(30(36)37)16-25(32)17-35)29(21)39-18-22-5-6-23-7-11-34(12-8-24(23)15-22)26-9-14-38-19-26;1-20-3-2-4-25(27-19-40-30(33-27)35-10-8-31(29(36)37)14-23(31)16-35)28(20)39-18-21-13-22-5-9-34(17-26(22)32-15-21)24-6-11-38-12-7-24;1-19-3-2-4-24(26-18-39-29(32-26)34-9-7-30(28(35)36)12-22(30)14-34)27(19)38-16-20-11-21-5-8-33(15-25(21)31-13-20)23-6-10-37-17-23/h3-7,21,26-27H,8-20H2,1-2H3,(H,38,39);3-7,20,25-26H,8-19H2,1-2H3,(H,37,38);2-6,17,21,26-27H,7-16,18-20H2,1H3,(H,37,38);3-7,19,24-25H,8-18H2,1-2H3,(H,36,37);2-5,14-15,20,25-26H,6-13,16-19H2,1H3,(H,36,37);2-6,15,20,25-26H,7-14,16-19H2,1H3,(H,36,37);2-4,13,15,19,23-24H,5-12,14,16-18H2,1H3,(H,36,37);2-4,11,13,18,22-23H,5-10,12,14-17H2,1H3,(H,35,36)/t26-,34+;25-,26?,33+;26-,33+;24-,32+;25-,32+;25-,26?,32+;23-,31+;22-,23?,30+/m00000000/s1
InChIKeyBSECNWMEHYMEEG-LUMXIZELSA-N
XLogP42.26
TPSA626.82 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds56
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004521.91
LogP ≤ 542.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Analyze (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The IUPAC name of (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid (CID 157445506) is (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid.
What is the SMILES notation for (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The canonical SMILES for (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid is Cc1ccc(OCc2ccc3c(c2)CCN(C2CCOCC2)C3)c(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1CCOCC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1ccc2c(c1C)CCN(C1COC1)CC2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOC1)C2.Cc1cccc(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1OCc1cnc2c(c1)CCN(C1CCOCC1)C2.
What is the InChIKey of (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The InChIKey is BSECNWMEHYMEEG-LUMXIZELSA-N. The full InChI is InChI=1S/C34H41N3O4S.2C33H39N3O4S.3C32H37N3O4S.C31H36N4O4S.C30H34N4O4S/c1-22-4-3-5-29(30-21-42-33(35-30)37-15-12-34(32(38)39)18-26(34)19-37)31(22)41-20-25-7-6-24-8-13-36(14-9-28(24)23(25)2)27-10-16-40-17-11-27;1-21-4-3-5-28(29-20-41-32(34-29)36-14-11-33(31(37)38)16-25(33)17-36)30(21)40-18-24-7-6-23-8-12-35(26-10-15-39-19-26)13-9-27(23)22(24)2;1-22-3-2-4-28(29-21-41-32(34-29)36-14-11-33(31(37)38)18-26(33)19-36)30(22)40-20-23-5-6-24-7-12-35(13-8-25(24)17-23)27-9-15-39-16-10-27;1-20-4-3-5-27(28-19-40-31(33-28)35-13-10-32(30(36)37)14-24(32)15-35)29(20)39-16-23-7-6-22-8-11-34(25-17-38-18-25)12-9-26(22)21(23)2;1-21-2-5-29(27(14-21)28-20-40-31(33-28)35-11-9-32(30(36)37)16-25(32)18-35)39-19-22-3-4-24-17-34(10-6-23(24)15-22)26-7-12-38-13-8-26;1-21-3-2-4-27(28-20-40-31(33-28)35-13-10-32(30(36)37)16-25(32)17-35)29(21)39-18-22-5-6-23-7-11-34(12-8-24(23)15-22)26-9-14-38-19-26;1-20-3-2-4-25(27-19-40-30(33-27)35-10-8-31(29(36)37)14-23(31)16-35)28(20)39-18-21-13-22-5-9-34(17-26(22)32-15-21)24-6-11-38-12-7-24;1-19-3-2-4-24(26-18-39-29(32-26)34-9-7-30(28(35)36)12-22(30)14-34)27(19)38-16-20-11-21-5-8-33(15-25(21)31-13-20)23-6-10-37-17-23/h3-7,21,26-27H,8-20H2,1-2H3,(H,38,39);3-7,20,25-26H,8-19H2,1-2H3,(H,37,38);2-6,17,21,26-27H,7-16,18-20H2,1H3,(H,37,38);3-7,19,24-25H,8-18H2,1-2H3,(H,36,37);2-5,14-15,20,25-26H,6-13,16-19H2,1H3,(H,36,37);2-6,15,20,25-26H,7-14,16-19H2,1H3,(H,36,37);2-4,13,15,19,23-24H,5-12,14,16-18H2,1H3,(H,36,37);2-4,11,13,18,22-23H,5-10,12,14-17H2,1H3,(H,35,36)/t26-,34+;25-,26?,33+;26-,33+;24-,32+;25-,32+;25-,26?,32+;23-,31+;22-,23?,30+/m00000000/s1.
What are the key properties of (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid has a molecular weight of 4521.91 g/mol, XLogP of 42.26, 56 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxetan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[6-methyl-3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxan-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-1,7-naphthyridin-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid;(1R,6S)-3-[4-[3-methyl-2-[[3-(oxolan-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-1,3-thiazol-2-yl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid is sourced from PubChem (CID 157445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).