(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

C137H165F2N11O17S — CID 158604489

IUPAC(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN(C)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.Cc1cc(COc2c(C)cccc2-c2csc(C3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)cc2c1CN(C1CCC(F)(F)CC1)CC2
InChIInChI=1S/C35H40F2N2O3S.2C35H43N3O5.C32H39N3O4/c1-21-4-3-5-28(30-20-43-32(38-30)25-6-10-34(33(40)41)17-26(34)16-25)31(21)42-19-23-14-22(2)29-18-39(13-9-24(29)15-23)27-7-11-35(36,37)12-8-27;2*1-23-6-4-7-29(31-8-5-9-33(36-31)38-18-14-30(35(39)40)32(20-38)41-3)34(23)43-21-26-11-10-25-12-16-37(27-15-19-42-22-27)17-13-28(25)24(26)2;1-21-7-5-8-26(28-9-6-10-30(33-28)35-18-15-27(32(36)37)29(19-35)38-4)31(21)39-20-24-12-11-23-13-16-34(3)17-14-25(23)22(24)2/h3-5,14-15,20,25-27H,6-13,16-19H2,1-2H3,(H,40,41);2*4-11,27,30,32H,12-22H2,1-3H3,(H,39,40);5-12,27,29H,13-20H2,1-4H3,(H,36,37)/t25?,26-,34-;27-,30+,32-;27-,30-,32+;27-,29+/m1100/s1
InChIKeyHWAUUDMDQUPFQR-JAXNBPSGSA-N
MW2307.95 g/mol
LogP23.32
Rot. Bonds30

About (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 158604489) has the molecular formula C137H165F2N11O17S and a molecular weight of 2307.95 g/mol. Its IUPAC name is (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID158604489
Molecular FormulaC137H165F2N11O17S
Molecular Weight2307.95 g/mol
Exact Mass2306.21
IUPAC Name(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN(C)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.Cc1cc(COc2c(C)cccc2-c2csc(C3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)cc2c1CN(C1CCC(F)(F)CC1)CC2
InChIInChI=1S/C35H40F2N2O3S.2C35H43N3O5.C32H39N3O4/c1-21-4-3-5-28(30-20-43-32(38-30)25-6-10-34(33(40)41)17-26(34)16-25)31(21)42-19-23-14-22(2)29-18-39(13-9-24(29)15-23)27-7-11-35(36,37)12-8-27;2*1-23-6-4-7-29(31-8-5-9-33(36-31)38-18-14-30(35(39)40)32(20-38)41-3)34(23)43-21-26-11-10-25-12-16-37(27-15-19-42-22-27)17-13-28(25)24(26)2;1-21-7-5-8-26(28-9-6-10-30(33-28)35-18-15-27(32(36)37)29(19-35)38-4)31(21)39-20-24-12-11-23-13-16-34(3)17-14-25(23)22(24)2/h3-5,14-15,20,25-27H,6-13,16-19H2,1-2H3,(H,40,41);2*4-11,27,30,32H,12-22H2,1-3H3,(H,39,40);5-12,27,29H,13-20H2,1-4H3,(H,36,37)/t25?,26-,34-;27-,30+,32-;27-,30-,32+;27-,29+/m1100/s1
InChIKeyHWAUUDMDQUPFQR-JAXNBPSGSA-N
XLogP23.32
TPSA306.51 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002307.95
LogP ≤ 523.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 158604489) is (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN(C)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCN([C@H]3CCOC3)CC4)n2)CC[C@@H]1C(=O)O.Cc1cc(COc2c(C)cccc2-c2csc(C3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)cc2c1CN(C1CCC(F)(F)CC1)CC2.
What is the InChIKey of (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is HWAUUDMDQUPFQR-JAXNBPSGSA-N. The full InChI is InChI=1S/C35H40F2N2O3S.2C35H43N3O5.C32H39N3O4/c1-21-4-3-5-28(30-20-43-32(38-30)25-6-10-34(33(40)41)17-26(34)16-25)31(21)42-19-23-14-22(2)29-18-39(13-9-24(29)15-23)27-7-11-35(36,37)12-8-27;2*1-23-6-4-7-29(31-8-5-9-33(36-31)38-18-14-30(35(39)40)32(20-38)41-3)34(23)43-21-26-11-10-25-12-16-37(27-15-19-42-22-27)17-13-28(25)24(26)2;1-21-7-5-8-26(28-9-6-10-30(33-28)35-18-15-27(32(36)37)29(19-35)38-4)31(21)39-20-24-12-11-23-13-16-34(3)17-14-25(23)22(24)2/h3-5,14-15,20,25-27H,6-13,16-19H2,1-2H3,(H,40,41);2*4-11,27,30,32H,12-22H2,1-3H3,(H,39,40);5-12,27,29H,13-20H2,1-4H3,(H,36,37)/t25?,26-,34-;27-,30+,32-;27-,30-,32+;27-,29+/m1100/s1.
What are the key properties of (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
(1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 2307.95 g/mol, XLogP of 23.32, 30 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-4-[4-[2-[[2-(4,4-difluorocyclohexyl)-8-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]bicyclo[4.1.0]heptane-1-carboxylic acid;(3S,4S)-1-[6-[2-[(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methoxy]-3-methylphenyl]-2-pyridinyl]-3-methoxypiperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3R)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid;(3S,4S)-3-methoxy-1-[6-[3-methyl-2-[[6-methyl-3-[(3S)-oxolan-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 158604489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).