General Information of the Compound
| Compound ID |
CP0903071
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| Compound Name |
N-(1-(4-chlorophthalazin-1-yl)piperidin-4-yl)-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H19ClF4N4O
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| Molecular Weight |
466.866
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| Canonical SMILES |
CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(Cl)c3ccccc23)CC1
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| InChI |
InChI=1S/C22H19ClF4N4O/c1-30(21(32)17-7-6-13(24)12-18(17)22(25,26)27)14-8-10-31(11-9-14)20-16-5-3-2-4-15(16)19(23)28-29-20/h2-7,12,14H,8-11H2,1H3
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| InChIKey |
DYLOGMITWFWTCN-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