General Information of the Compound
| Compound ID |
CP0643412
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| Compound Name |
(Z)-3-(phenyl(4-(piperidin-1-ylmethyl)phenylamino)methylene)-indolin-2-one
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| Formula |
C27H27N3O
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| Molecular Weight |
409.533
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| Canonical SMILES |
O=C1Nc2ccccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H27N3O/c31-27-25(23-11-5-6-12-24(23)29-27)26(21-9-3-1-4-10-21)28-22-15-13-20(14-16-22)19-30-17-7-2-8-18-30/h1,3-6,9-16,28H,2,7-8,17-19H2,(H,29,31)/b26-25-
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| InChIKey |
VBVJQGOFYMMHKC-QPLCGJKRSA-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