5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid

C150H173F24N13O23 — CID 159245611

About 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid

5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid (PubChem CID 159245611) has the molecular formula C150H173F24N13O23 and a molecular weight of 2982.05 g/mol. Its IUPAC name is 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid
• PubChem CID: 159245611
• Molecular Formula: C150H173F24N13O23
• Molecular Weight: 2982.05 g/mol
• Exact Mass: 2980.24
• IUPAC Name: 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid
• SMILES: CCOc1cc(CNC(=O)[C@@]2(C3CC3)CC[C@@H](N3CCN(C(C)C)[C@@H](C)C3)CO2)cc(C(F)(F)F)c1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3CCc4c(cc(C(F)(F)F)cc4C(F)(F)F)C3)(C3CC3)OC2)CCN1c1ccc(F)c(C(=O)O)c1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(OC(F)(F)F)c3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(OC(F)(F)F)c4)(C4CC4)OC3)CC2)ccc1F.O=C=O
• InChI: InChI=1S/C32H34F7N3O4.C32H37F4N3O4.2C29H31F5N2O5.C27H40F3N3O3.CO2/c1-18-15-40(10-11-42(18)22-4-5-27(33)25(14-22)28(43)44)23-6-8-30(46-17-23,20-2-3-20)29(45)41-9-7-24-19(16-41)12-21(31(34,35)36)13-26(24)32(37,38)39;33-24-8-4-21(5-9-24)27-11-13-39(19-28(27)29(40)41)26-10-12-31(43-20-26,22-6-7-22)30(42)38-16-14-37(15-17-38)25-3-1-2-23(18-25)32(34,35)36;30-20-5-1-18(2-6-20)24-8-10-36(15-25(24)26(37)38)22-7-9-28(40-16-22,19-3-4-19)27(39)35-14-17-11-21(31)13-23(12-17)41-29(32,33)34;30-21-11-17(12-23(14-21)41-29(32,33)34)15-35-27(39)28(20-2-3-20)8-5-22(16-40-28)36-9-6-18(7-10-36)19-1-4-25(31)24(13-19)26(37)38;1-5-35-24-13-20(12-22(14-24)27(28,29)30)15-31-25(34)26(21-6-7-21)9-8-23(17-36-26)32-10-11-33(18(2)3)19(4)16-32;2-1-3/h4-5,12-14,18,20,23H,2-3,6-11,15-17H2,1H3,(H,43,44);1-5,8-9,18,22,26-28H,6-7,10-17,19-20H2,(H,40,41);1-2,5-6,11-13,19,22,24-25H,3-4,7-10,14-16H2,(H,35,39)(H,37,38);1,4,11-14,18,20,22H,2-3,5-10,15-16H2,(H,35,39)(H,37,38);12-14,18-19,21,23H,5-11,15-17H2,1-4H3,(H,31,34);/t18-,23+,30-;26-,27+,28-,31+;22-,24+,25-,28+;22-,28+;19-,23+,26-;/m01110./s1
• InChIKey: KUQKJSYBYWHISG-FMOBGXTNSA-N
• XLogP: 25.26
• TPSA: 411.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2982.05
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid?

The IUPAC name of 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid (CID 159245611) is 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid.

What is the SMILES notation for 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid?

The canonical SMILES for 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid is CCOc1cc(CNC(=O)[C@@]2(C3CC3)CC[C@@H](N3CCN(C(C)C)[C@@H](C)C3)CO2)cc(C(F)(F)F)c1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3CCc4c(cc(C(F)(F)F)cc4C(F)(F)F)C3)(C3CC3)OC2)CCN1c1ccc(F)c(C(=O)O)c1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)[C@@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(OC(F)(F)F)c3)(C3CC3)OC2)CC[C@H]1c1ccc(F)cc1.O=C(O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(OC(F)(F)F)c4)(C4CC4)OC3)CC2)ccc1F.O=C=O.

What is the InChIKey of 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid?

The InChIKey is KUQKJSYBYWHISG-FMOBGXTNSA-N. The full InChI is InChI=1S/C32H34F7N3O4.C32H37F4N3O4.2C29H31F5N2O5.C27H40F3N3O3.CO2/c1-18-15-40(10-11-42(18)22-4-5-27(33)25(14-22)28(43)44)23-6-8-30(46-17-23,20-2-3-20)29(45)41-9-7-24-19(16-41)12-21(31(34,35)36)13-26(24)32(37,38)39;33-24-8-4-21(5-9-24)27-11-13-39(19-28(27)29(40)41)26-10-12-31(43-20-26,22-6-7-22)30(42)38-16-14-37(15-17-38)25-3-1-2-23(18-25)32(34,35)36;30-20-5-1-18(2-6-20)24-8-10-36(15-25(24)26(37)38)22-7-9-28(40-16-22,19-3-4-19)27(39)35-14-17-11-21(31)13-23(12-17)41-29(32,33)34;30-21-11-17(12-23(14-21)41-29(32,33)34)15-35-27(39)28(20-2-3-20)8-5-22(16-40-28)36-9-6-18(7-10-36)19-1-4-25(31)24(13-19)26(37)38;1-5-35-24-13-20(12-22(14-24)27(28,29)30)15-31-25(34)26(21-6-7-21)9-8-23(17-36-26)32-10-11-33(18(2)3)19(4)16-32;2-1-3/h4-5,12-14,18,20,23H,2-3,6-11,15-17H2,1H3,(H,43,44);1-5,8-9,18,22,26-28H,6-7,10-17,19-20H2,(H,40,41);1-2,5-6,11-13,19,22,24-25H,3-4,7-10,14-16H2,(H,35,39)(H,37,38);1,4,11-14,18,20,22H,2-3,5-10,15-16H2,(H,35,39)(H,37,38);12-14,18-19,21,23H,5-11,15-17H2,1-4H3,(H,31,34);/t18-,23+,30-;26-,27+,28-,31+;22-,24+,25-,28+;22-,28+;19-,23+,26-;/m01110./s1.

What are the key properties of 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid?

5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid has a molecular weight of 2982.05 g/mol, XLogP of 25.26, 35 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-4-[(3R,6S)-6-[5,7-bis(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;carbon dioxide;(2S,5R)-2-cyclopropyl-N-[[3-ethoxy-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-2-fluorobenzoic acid;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 159245611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).