General Information of the Compound
| Compound ID |
CP0905422
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| Compound Name |
N-(4-fluoro-2-(trifluoromethyl)benzyl)-N-methyl-1-(4-(1-methyl-1Hpyrazol-5-yl)phthalazin-1-yl)piperidin-4-amine
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| Structure |
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| Formula |
C26H26F4N6
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| Molecular Weight |
498.528
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| Canonical SMILES |
CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C26H26F4N6/c1-34(16-17-7-8-18(27)15-22(17)26(28,29)30)19-10-13-36(14-11-19)25-21-6-4-3-5-20(21)24(32-33-25)23-9-12-31-35(23)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3
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| InChIKey |
FNHOKMOUMFIPIJ-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