General Information of the Compound
| Compound ID |
CP0637590
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| Compound Name |
(4Z)-6-(3-Hydroxyphenyl)-4-({[4-piperidin-1-ylmethyl]phenyl}-amino)methylene)}isoquinoline-1,3(2H,4H)-dione
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3cccc(O)c3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H27N3O3/c32-23-6-4-5-20(15-23)21-9-12-24-25(16-21)26(28(34)30-27(24)33)17-29-22-10-7-19(8-11-22)18-31-13-2-1-3-14-31/h4-12,15-17,29,32H,1-3,13-14,18H2,(H,30,33,34)/b26-17-
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| InChIKey |
PTCWBARQZXZILQ-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