General Information of the Compound
| Compound ID |
CP0145457
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-fluoro-2-methylphenyl)-N-methylpyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H32F7N3O3
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| Molecular Weight |
615.59
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/m1/s1
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| InChIKey |
QVYOBGVPVVZIAA-FTJBHMTQSA-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