General Information of the Compound
| Compound ID |
CP0948225
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-(2-hydroxyethyl)-N-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C27H23F2N5O3
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| Molecular Weight |
503.509
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| Canonical SMILES |
Cn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(CCO)c3c2)cn1
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| InChI |
InChI=1S/C27H23F2N5O3/c1-33-16-18(15-30-33)31-25(36)17-10-11-23-24(14-17)34(12-13-35)26(32-23)27(37,19-6-2-4-8-21(19)28)20-7-3-5-9-22(20)29/h2-11,14-16,35,37H,12-13H2,1H3,(H,31,36)
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| InChIKey |
WLNUWIVRIWWYRQ-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