General Information of the Compound
| Compound ID |
CP0568028
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| Compound Name |
3-(4-chlorophenyl)-N-[2-(3-fluorophenyl)ethyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C23H17ClFN3O2
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| Molecular Weight |
421.859
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| Canonical SMILES |
Fc1cccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)c1
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| InChI |
InChI=1S/C23H17ClFN3O2/c24-16-8-10-18(11-9-16)28-23(30)20-7-2-1-6-19(20)21(27-28)22(29)26-13-12-15-4-3-5-17(25)14-15/h1-11,14H,12-13H2,(H,26,29)
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| InChIKey |
PJQCALXVECZSTC-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