General Information of the Compound
| Compound ID |
CP0499163
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| Compound Name |
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-3-(trifluoromethyl)-pyridin-2(1H)-one
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| Structure |
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| Formula |
C21H15F5N4O
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| Molecular Weight |
434.368
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| Canonical SMILES |
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F5N4O/c1-11-20(13-2-5-15(22)6-3-13,14-4-7-17(23)27-10-14)30-18(29-11)12-8-16(21(24,25)26)19(31)28-9-12/h2-11H,1H3,(H,28,31)(H,29,30)/t11-,20-/m0/s1
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| InChIKey |
WBCSBZFAIDSZQU-YBTHPKLGSA-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