General Information of the Compound
| Compound ID |
CP0066637
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| Compound Name |
2-(2-benzylsulfanylbenzimidazol-1-yl)acetic acid
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| Structure |
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| Formula |
C16H14N2O2S
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| Molecular Weight |
298.367
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| Canonical SMILES |
OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
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| InChIKey |
MRSJYQOUPBHILP-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