General Information of the Compound
| Compound ID |
CP0633457
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| Compound Name |
6-bromo-4-((4-(piperidin-1-ylmethyl)phenylamino)methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C22H22BrN3O2
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| Molecular Weight |
440.341
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| Canonical SMILES |
O=C1NC(=O)c2ccc(Br)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H22BrN3O2/c23-16-6-9-18-19(12-16)20(22(28)25-21(18)27)13-24-17-7-4-15(5-8-17)14-26-10-2-1-3-11-26/h4-9,12-13,24H,1-3,10-11,14H2,(H,25,27,28)/b20-13-
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| InChIKey |
ZTWORKFXUOCZAV-MOSHPQCFSA-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