General Information of the Compound
| Compound ID |
CP0633381
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| Compound Name |
6-(phenylamino)-4-((4-(piperidin-1-ylmethyl)phenylamino)methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
O=C1NC(=O)c2ccc(Nc3ccccc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H28N4O2/c33-27-24-14-13-23(30-22-7-3-1-4-8-22)17-25(24)26(28(34)31-27)18-29-21-11-9-20(10-12-21)19-32-15-5-2-6-16-32/h1,3-4,7-14,17-18,29-30H,2,5-6,15-16,19H2,(H,31,33,34)/b26-18-
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| InChIKey |
DUNFUDZVIBFHBS-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