General Information of the Compound
| Compound ID |
CP0495179
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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-methoxypyridin-2(1H)-one
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| Structure |
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| Formula |
C21H18F2N4O2
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| Molecular Weight |
396.397
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| Canonical SMILES |
COc1cc(c[nH]c1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1
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| InChI |
InChI=1S/C21H18F2N4O2/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-18(23)24-11-15)27-19(26-12)13-9-17(29-2)20(28)25-10-13/h3-12H,1-2H3,(H,25,28)(H,26,27)/t12-,21-/m0/s1
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| InChIKey |
VFUHCHXRQDQJHI-QKVFXAPYSA-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