General Information of the Compound
| Compound ID |
CP0453041
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| Compound Name |
(+/-)-trans-4-(((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)(methyl)amino)methyl)-1H-imidazol-2(3H)-one
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| Structure |
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| Formula |
C25H25F6N3O2
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| Molecular Weight |
513.482
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| Canonical SMILES |
CN(Cc1c[nH]c(=O)[nH]1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C25H25F6N3O2/c1-34(13-19-12-32-23(35)33-19)20-7-8-21(22(20)16-5-3-2-4-6-16)36-14-15-9-17(24(26,27)28)11-18(10-15)25(29,30)31/h2-6,9-12,20-22H,7-8,13-14H2,1H3,(H2,32,33,35)/t20-,21+,22+/m1/s1
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| InChIKey |
ZSLGEMKPRWABHK-FSSWDIPSSA-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