General Information of the Compound
| Compound ID |
CP0337616
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| Compound Name |
(2S)-3-(4-cyano-N-methyl-3-phenylanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C26H21F3N4O2
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| Molecular Weight |
478.474
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| Canonical SMILES |
CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1
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| InChIKey |
IJSTYVUOTHDSEX-VWLOTQADSA-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