General Information of the Compound
| Compound ID |
CP0473258
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| Compound Name |
(2S)-N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-3-phenylindol-1-yl)-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C25H19ClFN3O2
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| Molecular Weight |
447.897
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| Canonical SMILES |
C[C@](O)(Cn1cc(-c2ccccc2)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C25H19ClFN3O2/c1-25(32,24(31)29-19-9-7-17(13-28)22(26)12-19)15-30-14-21(16-5-3-2-4-6-16)20-11-18(27)8-10-23(20)30/h2-12,14,32H,15H2,1H3,(H,29,31)/t25-/m0/s1
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| InChIKey |
KZYOQGXKHMLTMP-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