General Information of the Compound
| Compound ID |
CP0407756
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| Compound Name |
4-(2-ethylbutyl)-1-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperidin-4-ol
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| Structure |
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| Formula |
C19H25F4N3O
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| Molecular Weight |
387.421
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)c1nc2c(F)cc(cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C19H25F4N3O/c1-3-12(4-2)11-18(27)5-7-26(8-6-18)17-24-15-10-13(19(21,22)23)9-14(20)16(15)25-17/h9-10,12,27H,3-8,11H2,1-2H3,(H,24,25)
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| InChIKey |
PTMZPBKCKMNPHX-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