General Information of the Compound
| Compound ID |
CP0634523
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| Compound Name |
(4Z)-4-({[4 Piperidin-1-ylmethyl]phenyl}amino)methylene)}-6-(1H-pyrrol-1-yl)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
O=C1NC(=O)c2ccc(-n3cccc3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C26H26N4O2/c31-25-22-11-10-21(30-14-4-5-15-30)16-23(22)24(26(32)28-25)17-27-20-8-6-19(7-9-20)18-29-12-2-1-3-13-29/h4-11,14-17,27H,1-3,12-13,18H2,(H,28,31,32)/b24-17-
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| InChIKey |
RJJWIXQRPWECBQ-ULJHMMPZSA-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