General Information of the Compound
| Compound ID |
CP0002784
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| Compound Name |
2-amino-N-[(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C23H17ClN6O2
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| Molecular Weight |
444.882
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| Canonical SMILES |
Nc1nn2cccnc2c1C(=O)NCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C23H17ClN6O2/c24-17-9-4-6-14-12-16(30(23(32)18(14)17)15-7-2-1-3-8-15)13-27-22(31)19-20(25)28-29-11-5-10-26-21(19)29/h1-12H,13H2,(H2,25,28)(H,27,31)
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| InChIKey |
FKLKDNDVFASNQN-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