General Information of the Compound
| Compound ID |
CP0915894
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| Compound Name |
3-(2-((2,4-difluorophenyl)(3-fluoropyridin-2-yl)(hydroxy)methyl)-1-ethyl-1H-benzo[d]imidazol-6-yl)propan-1-ol
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
CCn1c(C(O)(c2ccc(F)cc2F)c2ncccc2F)nc2ccc(CCCO)cc21
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| InChI |
InChI=1S/C24H22F3N3O2/c1-2-30-21-13-15(5-4-12-31)7-10-20(21)29-23(30)24(32,22-18(26)6-3-11-28-22)17-9-8-16(25)14-19(17)27/h3,6-11,13-14,31-32H,2,4-5,12H2,1H3
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| InChIKey |
VRCROMZBHNPBQT-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