General Information of the Compound
| Compound ID |
CP0634522
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| Compound Name |
(4Z)-4-({[4-(Piperidin-1-ylmethyl)phenyl]amino}methylene)-6-thien-3-ylisoquinoline-1,3(2H,4H)-dione
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3cccnc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H26N4O2/c32-26-23-11-8-20(21-5-4-12-28-16-21)15-24(23)25(27(33)30-26)17-29-22-9-6-19(7-10-22)18-31-13-2-1-3-14-31/h4-12,15-17,29H,1-3,13-14,18H2,(H,30,32,33)/b25-17-
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| InChIKey |
JNJLUSINXGINSB-UQQQWYQISA-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