General Information of the Compound
| Compound ID |
CP0964245
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-N-(1-ethyl-1H-pyrazol-3-yl)-1-methyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C27H23F2N5O2
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| Molecular Weight |
487.51
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| Canonical SMILES |
CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)n1
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| InChI |
InChI=1S/C27H23F2N5O2/c1-3-34-15-14-24(32-34)31-25(35)17-12-13-22-23(16-17)33(2)26(30-22)27(36,18-8-4-6-10-20(18)28)19-9-5-7-11-21(19)29/h4-16,36H,3H2,1-2H3,(H,31,32,35)
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| InChIKey |
VAGWBLWOGLXCEI-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