General Information of the Compound
| Compound ID |
CP0552099
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| Compound Name |
3-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C23H15ClN4O2
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| Molecular Weight |
414.852
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc(C(=O)NCc2ccc(cc2)C#N)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H15ClN4O2/c24-17-9-11-18(12-10-17)28-23(30)20-4-2-1-3-19(20)21(27-28)22(29)26-14-16-7-5-15(13-25)6-8-16/h1-12H,14H2,(H,26,29)
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| InChIKey |
RYXPSMVJXCUXHW-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