General Information of the Compound
| Compound ID |
CP0887712
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| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C27H24F2N6O2
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| Molecular Weight |
502.525
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| Canonical SMILES |
CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(CC)c3c2)n1
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| InChI |
InChI=1S/C27H24F2N6O2/c1-3-34-16-30-26(33-34)32-24(36)17-13-14-22-23(15-17)35(4-2)25(31-22)27(37,18-9-5-7-11-20(18)28)19-10-6-8-12-21(19)29/h5-16,37H,3-4H2,1-2H3,(H,32,33,36)
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| InChIKey |
HNJDMBPJLCOYDN-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