General Information of the Compound
| Compound ID |
CP0440037
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-fluoro-6-(4-fluorophenyl)indol-1-yl]-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C26H18F5N3O2
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| Molecular Weight |
499.439
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| Canonical SMILES |
C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H18F5N3O2/c1-25(36,24(35)33-19-7-4-16(13-32)21(12-19)26(29,30)31)14-34-9-8-20-22(28)10-17(11-23(20)34)15-2-5-18(27)6-3-15/h2-12,36H,14H2,1H3,(H,33,35)/t25-/m0/s1
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| InChIKey |
HJAYGMAMUPGCNX-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