General Information of the Compound
| Compound ID |
CP0635811
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| Compound Name |
(4Z)-4-({[4-(Piperidin-1-ylmethyl)phenyl]amino}methylene)-isoquinoline-1,3(2H,4H)-dione
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H23N3O2/c26-21-19-7-3-2-6-18(19)20(22(27)24-21)14-23-17-10-8-16(9-11-17)15-25-12-4-1-5-13-25/h2-3,6-11,14,23H,1,4-5,12-13,15H2,(H,24,26,27)/b20-14-
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| InChIKey |
ROUJTABUDHEYCO-ZHZULCJRSA-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