General Information of the Compound
| Compound ID |
CP0167961
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| Compound Name |
1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]indole-3-carboxylic acid
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| Structure |
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| Formula |
C21H16F3N3O4
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| Molecular Weight |
431.37
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| Canonical SMILES |
C[C@](O)(Cn1cc(C(O)=O)c2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N3O4/c1-20(31,11-27-10-15(18(28)29)14-4-2-3-5-17(14)27)19(30)26-13-7-6-12(9-25)16(8-13)21(22,23)24/h2-8,10,31H,11H2,1H3,(H,26,30)(H,28,29)/t20-/m0/s1
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| InChIKey |
NQOTZXNTJJOLOJ-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