General Information of the Compound
| Compound ID |
CP0502867
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| Compound Name |
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxidoisoquinolin-2-ium-4-yl)methyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H13ClF2N4O
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| Molecular Weight |
398.8
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| Canonical SMILES |
[O-][n+]1cc(CN(c2cccc(Cl)c2)c2ncccn2)c2ccc(F)c(F)c2c1
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| InChI |
InChI=1S/C20H13ClF2N4O/c21-14-3-1-4-15(9-14)27(20-24-7-2-8-25-20)11-13-10-26(28)12-17-16(13)5-6-18(22)19(17)23/h1-10,12H,11H2
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| InChIKey |
ICCJGMYUKMDUCK-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