General Information of the Compound
| Compound ID |
CP0888594
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| Compound Name |
(Z)-6-Acetyl-3-[phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-indolin-2-one
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| Formula |
C29H29N3O2
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| Molecular Weight |
451.57
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| Canonical SMILES |
CC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H29N3O2/c1-20(33)23-12-15-25-26(18-23)31-29(34)27(25)28(22-8-4-2-5-9-22)30-24-13-10-21(11-14-24)19-32-16-6-3-7-17-32/h2,4-5,8-15,18,30H,3,6-7,16-17,19H2,1H3,(H,31,34)/b28-27-
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| InChIKey |
IIRHKZBVVKPONK-DQSJHHFOSA-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