General Information of the Compound
| Compound ID |
CP0576509
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| Compound Name |
3-(4-chlorophenyl)-4-oxo-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide
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| Structure |
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| Formula |
C21H15ClN4O2
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| Molecular Weight |
390.83
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc(C(=O)NCc2ccncc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C21H15ClN4O2/c22-15-5-7-16(8-6-15)26-21(28)18-4-2-1-3-17(18)19(25-26)20(27)24-13-14-9-11-23-12-10-14/h1-12H,13H2,(H,24,27)
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| InChIKey |
IWWASBWXIMPLAI-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