General Information of the Compound
| Compound ID |
CP0964248
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| Compound Name |
N-(1-ethyl-1H-1,2,4-triazol-3-yl)-1-(2-fluoroethyl)-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C27H25FN6O2
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| Molecular Weight |
484.535
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| Canonical SMILES |
CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCF)c3c2)n1
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| InChI |
InChI=1S/C27H25FN6O2/c1-2-33-18-29-26(32-33)31-24(35)19-13-14-22-23(17-19)34(16-15-28)25(30-22)27(36,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17-18,36H,2,15-16H2,1H3,(H,31,32,35)
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| InChIKey |
PYKYLRDFSBQHRR-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