General Information of the Compound
| Compound ID |
CP0969431
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| Compound Name |
N-(1-ethyl-1H-1,2,4-triazol-3-yl)-2-(hydroxydiphenylmethyl)-1-(2-methoxyethyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1
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| InChI |
InChI=1S/C28H28N6O3/c1-3-33-19-29-27(32-33)31-25(35)20-14-15-23-24(18-20)34(16-17-37-2)26(30-23)28(36,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,18-19,36H,3,16-17H2,1-2H3,(H,31,32,35)
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| InChIKey |
PXSVZQHJOAGXBN-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