General Information of the Compound
| Compound ID |
CP0258994
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(N-(4-fluorophenyl)anilino)-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C24H19F4N3O2
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| Molecular Weight |
457.427
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| Canonical SMILES |
C[C@](O)(CN(c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H19F4N3O2/c1-23(33,22(32)30-18-10-7-16(14-29)21(13-18)24(26,27)28)15-31(19-5-3-2-4-6-19)20-11-8-17(25)9-12-20/h2-13,33H,15H2,1H3,(H,30,32)/t23-/m0/s1
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| InChIKey |
AKYKJSORIJFXQN-QHCPKHFHSA-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