General Information of the Compound
| Compound ID |
CP0467767
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| Compound Name |
1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phenyl)propan-2-yl)-1,2,4-oxadiazol-3-yl)-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C32H33F7N4O3
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| Molecular Weight |
654.627
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1C)c1noc(n1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H33F7N4O3/c1-17-11-23(33)5-6-24(17)25-15-43(28(45)19-7-9-42(10-8-19)18(2)44)16-26(25)27-40-29(46-41-27)30(3,4)20-12-21(31(34,35)36)14-22(13-20)32(37,38)39/h5-6,11-14,19,25-26H,7-10,15-16H2,1-4H3/t25-,26+/m0/s1
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| InChIKey |
VCENFKCGBAWAEQ-IZZNHLLZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound