General Information of the Compound
| Compound ID |
CP0432250
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| Compound Name |
2-[2-[(2-methoxy-5-propan-2-yloxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C21H22N2O5S
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| Molecular Weight |
414.483
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2ccccc2n1CC(O)=O)C(=O)OC(C)C
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| InChI |
InChI=1S/C21H22N2O5S/c1-13(2)28-20(26)14-8-9-18(27-3)15(10-14)12-29-21-22-16-6-4-5-7-17(16)23(21)11-19(24)25/h4-10,13H,11-12H2,1-3H3,(H,24,25)
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| InChIKey |
OOTPNUFLNSLWLB-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