General Information of the Compound
| Compound ID |
CP0423511
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| Compound Name |
2-[2-[(4-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C16H13BrN2O2S
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| Molecular Weight |
377.263
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| Canonical SMILES |
OC(=O)Cn1c(SCc2ccc(Br)cc2)nc2ccccc12
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| InChI |
InChI=1S/C16H13BrN2O2S/c17-12-7-5-11(6-8-12)10-22-16-18-13-3-1-2-4-14(13)19(16)9-15(20)21/h1-8H,9-10H2,(H,20,21)
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| InChIKey |
VKZMILAGNPLFMV-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