General Information of the Compound
| Compound ID |
CP0198200
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| Compound Name |
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-fluorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H21FN6O2
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| Molecular Weight |
444.47
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| Canonical SMILES |
Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(F)c2)cc[nH]c1=O)-n1ccnc1
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| InChI |
InChI=1S/C24H21FN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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| InChIKey |
XMRDJZYWIDOPTO-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