General Information of the Compound
| Compound ID |
CP0576505
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| Compound Name |
3-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C26H24ClN5O2
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| Molecular Weight |
473.964
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C26H24ClN5O2/c1-30-14-16-31(17-15-30)20-12-8-19(9-13-20)28-25(33)24-22-4-2-3-5-23(22)26(34)32(29-24)21-10-6-18(27)7-11-21/h2-13H,14-17H2,1H3,(H,28,33)
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| InChIKey |
NYXWKIBPHYYZHO-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