General Information of the Compound
| Compound ID |
CP0531158
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| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-phenylindol-1-yl)propanamide
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| Structure |
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| Formula |
C26H20F3N3O2
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| Molecular Weight |
463.459
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| Canonical SMILES |
C[C@](O)(Cn1ccc2c(cccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H20F3N3O2/c1-25(34,24(33)31-19-11-10-18(15-30)22(14-19)26(27,28)29)16-32-13-12-21-20(8-5-9-23(21)32)17-6-3-2-4-7-17/h2-14,34H,16H2,1H3,(H,31,33)/t25-/m0/s1
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| InChIKey |
XXKGRTRHKBWMNU-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