General Information of the Compound
| Compound ID |
CP0941857
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| Compound Name |
3-(Aminomethyl)-7-(4-bromo-1H-pyrazol-1-yl)isoquinolin-1(2H)-one
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| Structure |
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| Formula |
C13H11BrN4O
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| Molecular Weight |
319.162
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| Canonical SMILES |
NCc1cc2ccc(-n3cc(Br)cn3)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C13H11BrN4O/c14-9-6-16-18(7-9)11-2-1-8-3-10(5-15)17-13(19)12(8)4-11/h1-4,6-7H,5,15H2,(H,17,19)
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| InChIKey |
XZEMXQRNIGHFKS-UHFFFAOYSA-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