General Information of the Compound
| Compound ID |
CP0524674
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| Compound Name |
propan-2-yl 2-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
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| Structure |
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| Formula |
C22H26N2O3S
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| Molecular Weight |
398.528
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| Canonical SMILES |
CC(C)OC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12
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| InChI |
InChI=1S/C22H26N2O3S/c1-15(2)27-21(25)14-24-20-8-6-5-7-19(20)23-22(24)28-12-11-26-18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3
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| InChIKey |
KJZRAQREJNJTJH-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