General Information of the Compound
| Compound ID |
CP0946772
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-ethyl-N-(1-ethyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H25F2N5O2
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| Molecular Weight |
501.537
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| Canonical SMILES |
CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(CC)c3c2)n1
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| InChI |
InChI=1S/C28H25F2N5O2/c1-3-34-16-15-25(33-34)32-26(36)18-13-14-23-24(17-18)35(4-2)27(31-23)28(37,19-9-5-7-11-21(19)29)20-10-6-8-12-22(20)30/h5-17,37H,3-4H2,1-2H3,(H,32,33,36)
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| InChIKey |
WUXBUVZLUQYCIC-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