3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)

C176H200ClF25N14O20 — CID 160929725

About 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)

3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide) (PubChem CID 160929725) has the molecular formula C176H200ClF25N14O20 and a molecular weight of 3342.02 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide).

Molecular Properties

• Compound Name: 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)
• PubChem CID: 160929725
• Molecular Formula: C176H200ClF25N14O20
• Molecular Weight: 3342.02 g/mol
• Exact Mass: 3339.44
• IUPAC Name: 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)
• SMILES: CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3CCc4c(Cl)cc(C(F)(F)F)cc4C3)(C3CC3)OC2)CC[C@@H]1c1cccc(C(=O)O)c1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3COc4c(cc(C(F)(F)F)cc4C(F)(F)F)C3)(C3CC3)OC2)CC[C@@H]1c1cccc(C(=O)O)c1.O=C(N1COc2ccc(C(F)(F)F)cc2C1)[C@@]1(C2CC2)CC[C@@H](N2CC[C@@H](Nc3ccc(F)cc3)C2)CO1.O=C(NCc1cncc(C(F)(F)F)c1)[C@@]1(C2CC2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.O=C=O
• InChI: InChI=1S/C32H36ClF3N2O4.C32H34F6N2O5.C28H31F4N3O3.2C28H34F4N2O2.C27H31F4N3O2.CO2/c1-19-16-37(11-8-26(19)20-3-2-4-21(13-20)29(39)40)25-7-10-31(42-18-25,23-5-6-23)30(41)38-12-9-27-22(17-38)14-24(15-28(27)33)32(34,35)36;1-18-14-39(10-8-25(18)19-3-2-4-20(11-19)28(41)42)24-7-9-30(45-16-24,22-5-6-22)29(43)40-15-21-12-23(31(33,34)35)13-26(32(36,37)38)27(21)44-17-40;29-21-4-6-22(7-5-21)33-23-10-12-34(15-23)24-9-11-27(38-16-24,19-1-2-19)26(36)35-14-18-13-20(28(30,31)32)3-8-25(18)37-17-35;2*1-19(2)27(26(35)33-17-20-4-3-5-23(16-20)28(30,31)32)13-10-25(18-36-27)34-14-11-22(12-15-34)21-6-8-24(29)9-7-21;28-23-5-1-19(2-6-23)20-8-11-34(12-9-20)24-7-10-26(36-17-24,21-3-4-21)25(35)33-15-18-13-22(16-32-14-18)27(29,30)31;2-1-3/h2-4,13-15,19,23,25-26H,5-12,16-18H2,1H3,(H,39,40);2-4,11-13,18,22,24-25H,5-10,14-17H2,1H3,(H,41,42);3-8,13,19,23-24,33H,1-2,9-12,14-17H2;2*3-9,16,19,22,25H,10-15,17-18H2,1-2H3,(H,33,35);1-2,5-6,13-14,16,20-21,24H,3-4,7-12,15,17H2,(H,33,35);/t19-,25+,26-,31-;18-,24+,25-,30-;23-,24-,27+;2*25-,27+;24-,26+;/m001111./s1
• InChIKey: STCKPEVFCQLCSF-LDDMOJEYSA-N
• XLogP: 34.29
• TPSA: 375.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3342.02
LogP ≤ 5	34.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)?

The IUPAC name of 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide) (CID 160929725) is 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide).

What is the SMILES notation for 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)?

The canonical SMILES for 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide) is CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.CC(C)[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3CCc4c(Cl)cc(C(F)(F)F)cc4C3)(C3CC3)OC2)CC[C@@H]1c1cccc(C(=O)O)c1.C[C@H]1CN([C@@H]2CC[C@@](C(=O)N3COc4c(cc(C(F)(F)F)cc4C(F)(F)F)C3)(C3CC3)OC2)CC[C@@H]1c1cccc(C(=O)O)c1.O=C(N1COc2ccc(C(F)(F)F)cc2C1)[C@@]1(C2CC2)CC[C@@H](N2CC[C@@H](Nc3ccc(F)cc3)C2)CO1.O=C(NCc1cncc(C(F)(F)F)c1)[C@@]1(C2CC2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.O=C=O.

What is the InChIKey of 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)?

The InChIKey is STCKPEVFCQLCSF-LDDMOJEYSA-N. The full InChI is InChI=1S/C32H36ClF3N2O4.C32H34F6N2O5.C28H31F4N3O3.2C28H34F4N2O2.C27H31F4N3O2.CO2/c1-19-16-37(11-8-26(19)20-3-2-4-21(13-20)29(39)40)25-7-10-31(42-18-25,23-5-6-23)30(41)38-12-9-27-22(17-38)14-24(15-28(27)33)32(34,35)36;1-18-14-39(10-8-25(18)19-3-2-4-20(11-19)28(41)42)24-7-9-30(45-16-24,22-5-6-22)29(43)40-15-21-12-23(31(33,34)35)13-26(32(36,37)38)27(21)44-17-40;29-21-4-6-22(7-5-21)33-23-10-12-34(15-23)24-9-11-27(38-16-24,19-1-2-19)26(36)35-14-18-13-20(28(30,31)32)3-8-25(18)37-17-35;2*1-19(2)27(26(35)33-17-20-4-3-5-23(16-20)28(30,31)32)13-10-25(18-36-27)34-14-11-22(12-15-34)21-6-8-24(29)9-7-21;28-23-5-1-19(2-6-23)20-8-11-34(12-9-20)24-7-10-26(36-17-24,21-3-4-21)25(35)33-15-18-13-22(16-32-14-18)27(29,30)31;2-1-3/h2-4,13-15,19,23,25-26H,5-12,16-18H2,1H3,(H,39,40);2-4,11-13,18,22,24-25H,5-10,14-17H2,1H3,(H,41,42);3-8,13,19,23-24,33H,1-2,9-12,14-17H2;2*3-9,16,19,22,25H,10-15,17-18H2,1-2H3,(H,33,35);1-2,5-6,13-14,16,20-21,24H,3-4,7-12,15,17H2,(H,33,35);/t19-,25+,26-,31-;18-,24+,25-,30-;23-,24-,27+;2*25-,27+;24-,26+;/m001111./s1.

What are the key properties of 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide)?

3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide) has a molecular weight of 3342.02 g/mol, XLogP of 34.29, 33 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R,4S)-1-[(3R,6S)-6-[6,8-bis(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;carbon dioxide;3-[(3R,4S)-1-[(3R,6S)-6-[5-chloro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-cyclopropyloxan-3-yl]-3-methylpiperidin-4-yl]benzoic acid;[(2S,5R)-2-cyclopropyl-5-[(3R)-3-(4-fluoroanilino)pyrrolidin-1-yl]oxan-2-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone;(2S,5R)-2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;bis((2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide) is sourced from PubChem (CID 160929725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).