General Information of the Compound
| Compound ID |
CP0244335
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| Compound Name |
ethyl 1-[(2S)-3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]indole-3-carboxylate
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
CCOC(=O)c1cn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C23H20F3N3O4/c1-3-33-20(30)17-12-29(19-7-5-4-6-16(17)19)13-22(2,32)21(31)28-15-9-8-14(11-27)18(10-15)23(24,25)26/h4-10,12,32H,3,13H2,1-2H3,(H,28,31)/t22-/m0/s1
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| InChIKey |
YKLDWRFVFUDXIL-QFIPXVFZSA-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