General Information of the Compound
| Compound ID |
CP0167962
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5-fluoro-3-methylindol-1-yl)-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C21H17F4N3O2
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| Molecular Weight |
419.378
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| Canonical SMILES |
Cc1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccc(F)cc12
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| InChI |
InChI=1S/C21H17F4N3O2/c1-12-10-28(18-6-4-14(22)7-16(12)18)11-20(2,30)19(29)27-15-5-3-13(9-26)17(8-15)21(23,24)25/h3-8,10,30H,11H2,1-2H3,(H,27,29)/t20-/m0/s1
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| InChIKey |
DAXZYVGQYZDTFR-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