General Information of the Compound
| Compound ID |
CP0542611
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| Compound Name |
(2S)-3-(3-cyano-4-phenylpyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-2-hydroxy-2-methylpropanamide
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| Formula |
C21H15F3N6O2
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| Molecular Weight |
440.385
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| Canonical SMILES |
C[C@](O)(Cn1cc(c(n1)C#N)-c1ccccc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N6O2/c1-20(32,12-30-11-15(17(8-25)29-30)13-5-3-2-4-6-13)19(31)28-14-7-16(21(22,23)24)18(9-26)27-10-14/h2-7,10-11,32H,12H2,1H3,(H,28,31)/t20-/m0/s1
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| InChIKey |
PEHNMVHNHLVZFJ-FQEVSTJZSA-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