General Information of the Compound
| Compound ID |
CP0877872
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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]-4-methylpyridin-2(1H)-one trifluoroacetate
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| Structure |
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| Formula |
C23H19F5N4O3
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| Molecular Weight |
494.42
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| Canonical SMILES |
Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H18F2N4O.C2HF3O2/c1-12-9-19(28)25-11-17(12)20-26-13(2)21(27-20,14-3-6-16(22)7-4-14)15-5-8-18(23)24-10-15;3-2(4,5)1(6)7/h3-11,13H,1-2H3,(H,25,28)(H,26,27);(H,6,7)/t13-,21-;/m0./s1
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| InChIKey |
HAQNAXBZJRYIPW-SQCCBZMVSA-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