General Information of the Compound
| Compound ID |
CP0485376
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| Compound Name |
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-2-imidazol-1-yl-ethanone
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| Structure |
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| Formula |
C26H25F6N3O2
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| Molecular Weight |
525.493
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cn2ccnc2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F6N3O2/c27-25(28,29)21-12-19(13-22(14-21)26(30,31)32)16-37-17-24(20-4-2-1-3-5-20)6-9-35(10-7-24)23(36)15-34-11-8-33-18-34/h1-5,8,11-14,18H,6-7,9-10,15-17H2
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| InChIKey |
STFZMBZNJAIPHK-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