C191H197F18N29O32 — CID 159382789
2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-4-yl]oxyacetic acid;2-[6-methoxy-5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-methoxy-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;6-[3-[3-(morpholin-4-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[3-(piperazin-1-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-4-(2H-tetrazol-5-ylmethoxy)indol-3-yl]methanamine (PubChem CID 159382789) has the molecular formula C191H197F18N29O32 and a molecular weight of 3752.81 g/mol. Its IUPAC name is 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-4-yl]oxyacetic acid;2-[6-methoxy-5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-methoxy-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;6-[3-[3-(morpholin-4-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[3-(piperazin-1-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-4-(2H-tetrazol-5-ylmethoxy)indol-3-yl]methanamine.
| Compound Name | 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-4-yl]oxyacetic acid;2-[6-methoxy-5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-methoxy-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;6-[3-[3-(morpholin-4-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[3-(piperazin-1-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-4-(2H-tetrazol-5-ylmethoxy)indol-3-yl]methanamine |
|---|---|
| PubChem CID | 159382789 |
| Molecular Formula | C191H197F18N29O32 |
| Molecular Weight | 3752.81 g/mol |
| Exact Mass | 3750.44 |
| IUPAC Name | 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-4-yl]oxyacetic acid;2-[6-methoxy-5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[6-methoxy-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;6-[3-[3-(morpholin-4-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;6-[3-[3-(piperazin-1-ylmethyl)-4-(2H-tetrazol-5-ylmethoxy)indol-1-yl]propoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole;[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-4-(2H-tetrazol-5-ylmethoxy)indol-3-yl]methanamine |
| SMILES | CCCc1c(OCC(C)Cn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cc3ccn(CC(=O)O)c3cc2OC)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(CN)c3c(OCc4nn[nH]n4)cccc32)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(CN3CCNCC3)c3c(OCc4nn[nH]n4)cccc32)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2cc(CN3CCOCC3)c3c(OCc4nn[nH]n4)cccc32)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3c(OCC(=O)O)cccc32)ccc2cc(C(=O)c3ccccc3)ccc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)c(OC)cc32)ccc2c(C(F)(F)F)noc12 |
| InChI | InChI=1S/C33H31NO5.C29H33F3N8O3.C29H32F3N7O4.C25H26F3N7O3.2C25H25F3N2O6.C25H25F3N2O5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)38-20-7-18-34-19-17-28-29(34)11-6-12-30(28)39-22-32(35)36;1-2-5-20-23(9-8-21-27(20)43-36-28(21)29(30,31)32)41-15-4-12-40-17-19(16-39-13-10-33-11-14-39)26-22(40)6-3-7-24(26)42-18-25-34-37-38-35-25;1-2-5-20-23(9-8-21-27(20)43-35-28(21)29(30,31)32)41-13-4-10-39-17-19(16-38-11-14-40-15-12-38)26-22(39)6-3-7-24(26)42-18-25-33-36-37-34-25;1-2-5-16-19(9-8-17-23(16)38-32-24(17)25(26,27)28)36-11-4-10-35-13-15(12-29)22-18(35)6-3-7-20(22)37-14-21-30-33-34-31-21;1-3-5-16-19(7-6-17-23(16)36-29-24(17)25(26,27)28)34-10-4-11-35-21-12-15-8-9-30(14-22(31)32)18(15)13-20(21)33-2;1-3-5-16-19(7-6-17-23(16)36-29-24(17)25(26,27)28)34-11-4-9-30-10-8-15-12-21(35-14-22(31)32)20(33-2)13-18(15)30;1-3-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-13-15(2)12-30-10-9-16-11-17(5-7-20(16)30)33-14-22(31)32/h3-6,9-17,19,21H,2,7-8,18,20,22H2,1H3,(H,35,36);3,6-9,17,33H,2,4-5,10-16,18H2,1H3,(H,34,35,37,38);3,6-9,17H,2,4-5,10-16,18H2,1H3,(H,33,34,36,37);3,6-9,13H,2,4-5,10-12,14,29H2,1H3,(H,30,31,33,34);6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,31,32);6-8,10,12-13H,3-5,9,11,14H2,1-2H3,(H,31,32);5-11,15H,3-4,12-14H2,1-2H3,(H,31,32) |
| InChIKey | LLCXBPKVUJGOAI-UHFFFAOYSA-N |
| XLogP | 38.87 |
| TPSA | 721.78 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 270 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3752.81 |
| LogP ≤ 5 | 38.87 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 54 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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