General Information of the Compound
| Compound ID |
CP0426238
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-ethynylphenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide
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| Formula |
C23H17F3N4O2
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| Molecular Weight |
438.409
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| Canonical SMILES |
C[C@](O)(Cn1cc(cn1)-c1ccc(cc1)C#C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H17F3N4O2/c1-3-15-4-6-16(7-5-15)18-12-28-30(13-18)14-22(2,32)21(31)29-19-9-8-17(11-27)20(10-19)23(24,25)26/h1,4-10,12-13,32H,14H2,2H3,(H,29,31)/t22-/m0/s1
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| InChIKey |
CFBZFACBSOTWNS-QFIPXVFZSA-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