General Information of the Compound
| Compound ID |
CP0959241
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| Compound Name |
4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)naphthalen-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H26F4N4O
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| Molecular Weight |
510.535
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| Canonical SMILES |
CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C28H26F4N4O/c1-34(27(37)23-8-7-18(29)17-24(23)28(30,31)32)19-12-15-36(16-13-19)26-10-9-22(25-11-14-33-35(25)2)20-5-3-4-6-21(20)26/h3-11,14,17,19H,12-13,15-16H2,1-2H3
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| InChIKey |
POXMVWPYGSOAKN-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