General Information of the Compound
| Compound ID |
CP0946068
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| Compound Name |
methyl 2-(((5-(1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylamino)acetate
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| Structure |
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| Formula |
C15H15N3O3S
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| Molecular Weight |
317.37
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| Canonical SMILES |
COC(=O)CNCc1ccc(Sc2nc3ccccc3[nH]2)o1
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| InChI |
InChI=1S/C15H15N3O3S/c1-20-13(19)9-16-8-10-6-7-14(21-10)22-15-17-11-4-2-3-5-12(11)18-15/h2-7,16H,8-9H2,1H3,(H,17,18)
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| InChIKey |
DUEQUGOBRDXGKY-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