5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid

C154H170F23N11O21 — CID 158498862

About 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid

5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid (PubChem CID 158498862) has the molecular formula C154H170F23N11O21 and a molecular weight of 2948.06 g/mol. Its IUPAC name is 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid.

Molecular Properties

• Compound Name: 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid
• PubChem CID: 158498862
• Molecular Formula: C154H170F23N11O21
• Molecular Weight: 2948.06 g/mol
• Exact Mass: 2946.22
• IUPAC Name: 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid
• SMILES: COc1cc(C(F)(F)F)cc2c1CCN(C(=O)[C@@]1(C3CC3)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)CO1)C2.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3Cc4ccc(C(F)(F)F)cc4C3)(C3CC3)OC2)CCN1c1ccc(F)c(C(=O)O)c1.O=C(O)COc1cc(CNC(=O)[C@@]2(C3CC3)CC[C@@H](N3CC[C@@H](c4ccc(F)cc4)[C@H](CO)C3)CO2)cc(C(F)(F)F)c1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)N3Cc4ccc(C(F)(F)F)cc4C3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5c(cc(C(F)(F)F)cc5C(F)(F)F)C4)(C4CC4)OC3)CC2)ccc1F
• InChI: InChI=1S/C32H33F7N2O4.C31H36F4N2O6.C31H36F4N2O3.C30H33F4N3O4.C30H32F4N2O4/c33-27-4-1-19(14-25(27)28(42)43)18-6-10-40(11-7-18)23-5-9-30(45-17-23,21-2-3-21)29(44)41-12-8-24-20(16-41)13-22(31(34,35)36)15-26(24)32(37,38)39;32-24-5-1-20(2-6-24)27-8-10-37(15-21(27)16-38)25-7-9-30(43-17-25,22-3-4-22)29(41)36-14-19-11-23(31(33,34)35)13-26(12-19)42-18-28(39)40;1-39-28-17-24(31(33,34)35)16-22-18-37(15-11-27(22)28)29(38)30(23-4-5-23)12-8-26(19-40-30)36-13-9-21(10-14-36)20-2-6-25(32)7-3-20;1-18-14-35(10-11-37(18)23-6-7-26(31)25(13-23)27(38)39)24-8-9-29(41-17-24,21-4-5-21)28(40)36-15-19-2-3-22(30(32,33)34)12-20(19)16-36;31-23-7-2-18(3-8-23)25-10-12-35(16-26(25)27(37)38)24-9-11-29(40-17-24,21-5-6-21)28(39)36-14-19-1-4-22(30(32,33)34)13-20(19)15-36/h1,4,13-15,18,21,23H,2-3,5-12,16-17H2,(H,42,43);1-2,5-6,11-13,21-22,25,27,38H,3-4,7-10,14-18H2,(H,36,41)(H,39,40);2-3,6-7,16-17,21,23,26H,4-5,8-15,18-19H2,1H3;2-3,6-7,12-13,18,21,24H,4-5,8-11,14-17H2,1H3,(H,38,39);1-4,7-8,13,21,24-26H,5-6,9-12,14-17H2,(H,37,38)/t23-,30+;21-,25+,27-,30-;26-,30+;18-,24+,29-;24-,25+,26-,29+/m10101/s1
• InChIKey: HJQDEOMZBZNENT-VAGVSTGASA-N
• XLogP: 27.08
• TPSA: 363.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2948.06
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid?

The IUPAC name of 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid (CID 158498862) is 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid.

What is the SMILES notation for 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid?

The canonical SMILES for 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid is COc1cc(C(F)(F)F)cc2c1CCN(C(=O)[C@@]1(C3CC3)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)CO1)C2.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3Cc4ccc(C(F)(F)F)cc4C3)(C3CC3)OC2)CCN1c1ccc(F)c(C(=O)O)c1.O=C(O)COc1cc(CNC(=O)[C@@]2(C3CC3)CC[C@@H](N3CC[C@@H](c4ccc(F)cc4)[C@H](CO)C3)CO2)cc(C(F)(F)F)c1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)N3Cc4ccc(C(F)(F)F)cc4C3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5c(cc(C(F)(F)F)cc5C(F)(F)F)C4)(C4CC4)OC3)CC2)ccc1F.

What is the InChIKey of 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid?

The InChIKey is HJQDEOMZBZNENT-VAGVSTGASA-N. The full InChI is InChI=1S/C32H33F7N2O4.C31H36F4N2O6.C31H36F4N2O3.C30H33F4N3O4.C30H32F4N2O4/c33-27-4-1-19(14-25(27)28(42)43)18-6-10-40(11-7-18)23-5-9-30(45-17-23,21-2-3-21)29(44)41-12-8-24-20(16-41)13-22(31(34,35)36)15-26(24)32(37,38)39;32-24-5-1-20(2-6-24)27-8-10-37(15-21(27)16-38)25-7-9-30(43-17-25,22-3-4-22)29(41)36-14-19-11-23(31(33,34)35)13-26(12-19)42-18-28(39)40;1-39-28-17-24(31(33,34)35)16-22-18-37(15-11-27(22)28)29(38)30(23-4-5-23)12-8-26(19-40-30)36-13-9-21(10-14-36)20-2-6-25(32)7-3-20;1-18-14-35(10-11-37(18)23-6-7-26(31)25(13-23)27(38)39)24-8-9-29(41-17-24,21-4-5-21)28(40)36-15-19-2-3-22(30(32,33)34)12-20(19)16-36;31-23-7-2-18(3-8-23)25-10-12-35(16-26(25)27(37)38)24-9-11-29(40-17-24,21-5-6-21)28(39)36-14-19-1-4-22(30(32,33)34)13-20(19)15-36/h1,4,13-15,18,21,23H,2-3,5-12,16-17H2,(H,42,43);1-2,5-6,11-13,21-22,25,27,38H,3-4,7-10,14-18H2,(H,36,41)(H,39,40);2-3,6-7,16-17,21,23,26H,4-5,8-15,18-19H2,1H3;2-3,6-7,12-13,18,21,24H,4-5,8-11,14-17H2,1H3,(H,38,39);1-4,7-8,13,21,24-26H,5-6,9-12,14-17H2,(H,37,38)/t23-,30+;21-,25+,27-,30-;26-,30+;18-,24+,29-;24-,25+,26-,29+/m10101/s1.

What are the key properties of 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid?

5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid has a molecular weight of 2948.06 g/mol, XLogP of 27.08, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;2-[3-[[[(2S,5R)-2-cyclopropyl-5-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]oxane-2-carbonyl]amino]methyl]-5-(trifluoromethyl)phenoxy]acetic acid;[(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]oxan-2-yl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindole-2-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 158498862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).