General Information of the Compound
| Compound ID |
CP0956577
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| Compound Name |
(Z)-6-Cyano-3-[phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-indolin-2-one
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| Formula |
C28H26N4O
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| Molecular Weight |
434.543
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| Canonical SMILES |
N#Cc1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H26N4O/c29-18-21-11-14-24-25(17-21)31-28(33)26(24)27(22-7-3-1-4-8-22)30-23-12-9-20(10-13-23)19-32-15-5-2-6-16-32/h1,3-4,7-14,17,30H,2,5-6,15-16,19H2,(H,31,33)/b27-26-
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| InChIKey |
JAOYLMYMPINYDK-RQZHXJHFSA-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