General Information of the Compound
| Compound ID |
CP0417480
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| Compound Name |
2-[2-(3-anilinopropylsulfanyl)benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
OC(=O)Cn1c(SCCCNc2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C18H19N3O2S/c22-17(23)13-21-16-10-5-4-9-15(16)20-18(21)24-12-6-11-19-14-7-2-1-3-8-14/h1-5,7-10,19H,6,11-13H2,(H,22,23)
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| InChIKey |
RWIRIBOKVRVPTF-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