General Information of the Compound
| Compound ID |
CP0500807
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| Compound Name |
propan-2-yl 2-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
CC(C)OC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12
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| InChI |
InChI=1S/C21H24N2O3S/c1-15(2)26-20(24)14-23-19-7-5-4-6-18(19)22-21(23)27-13-12-25-17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3
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| InChIKey |
ZXLCHOFBIGWOBF-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