General Information of the Compound
| Compound ID |
CP0417212
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| Compound Name |
2-[2-(3-phenylpropylsulfanyl)benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C18H18N2O2S
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| Molecular Weight |
326.421
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| Canonical SMILES |
OC(=O)Cn1c(SCCCc2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C18H18N2O2S/c21-17(22)13-20-16-11-5-4-10-15(16)19-18(20)23-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,21,22)
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| InChIKey |
PGTNKDHXJZKIAZ-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