General Information of the Compound
| Compound ID |
CP0635810
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| Compound Name |
(4Z)-6-(4-Fluorophenyl)-4-({[4-(piperidin-1-ylmethyl)phenyl]-amino}methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C28H26FN3O2
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| Molecular Weight |
455.533
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3ccc(F)cc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H26FN3O2/c29-22-9-6-20(7-10-22)21-8-13-24-25(16-21)26(28(34)31-27(24)33)17-30-23-11-4-19(5-12-23)18-32-14-2-1-3-15-32/h4-13,16-17,30H,1-3,14-15,18H2,(H,31,33,34)/b26-17-
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| InChIKey |
MDUZNNZZFZXELS-ONUIUJJFSA-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