General Information of the Compound
| Compound ID |
CP0958979
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| Compound Name |
N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-4-phenoxy-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H29F3N6O2
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| Molecular Weight |
586.618
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| Canonical SMILES |
CN(C(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C32H29F3N6O2/c1-39(31(42)26-13-12-23(20-27(26)32(33,34)35)43-22-8-4-3-5-9-22)21-15-18-41(19-16-21)30-25-11-7-6-10-24(25)29(37-38-30)28-14-17-36-40(28)2/h3-14,17,20-21H,15-16,18-19H2,1-2H3
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| InChIKey |
FSQIBYKXAXWJRM-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