General Information of the Compound
| Compound ID |
CP0641932
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| Compound Name |
(Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-2,3-dihydro-1H-indole-6-carboxylic Acid Ethylmethylamide
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,32H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)/b29-28-
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| InChIKey |
MUSRTIADFPCYTQ-ZIADKAODSA-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