General Information of the Compound
| Compound ID |
CP0576508
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| Compound Name |
3-(4-chlorophenyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
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| Structure |
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| Formula |
C25H22ClN3O5
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| Molecular Weight |
479.92
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| Canonical SMILES |
COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C25H22ClN3O5/c1-32-20-12-15(13-21(33-2)23(20)34-3)14-27-24(30)22-18-6-4-5-7-19(18)25(31)29(28-22)17-10-8-16(26)9-11-17/h4-13H,14H2,1-3H3,(H,27,30)
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| InChIKey |
KXZHZKWGZRKCJO-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