General Information of the Compound
| Compound ID |
CP0635580
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| Compound Name |
(4Z)-6-Phenyl-4-({[4-piperidin-1-ylmethyl]phenyl}amino)-methylene)}isoquinoline-1,3(2H,4H)-dione
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| Formula |
C28H27N3O2
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| Molecular Weight |
437.543
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3ccccc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H27N3O2/c32-27-24-14-11-22(21-7-3-1-4-8-21)17-25(24)26(28(33)30-27)18-29-23-12-9-20(10-13-23)19-31-15-5-2-6-16-31/h1,3-4,7-14,17-18,29H,2,5-6,15-16,19H2,(H,30,32,33)/b26-18-
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| InChIKey |
PEOQCICSSJXJHR-ITYLOYPMSA-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