General Information of the Compound
| Compound ID |
CP0540330
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| Compound Name |
methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
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| Structure |
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| Formula |
C17H15N3O3S2
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| Molecular Weight |
373.459
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| Canonical SMILES |
COC(=O)c1sc2ncccc2c1NC(=O)CCSc1ccccn1
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| InChI |
InChI=1S/C17H15N3O3S2/c1-23-17(22)15-14(11-5-4-9-19-16(11)25-15)20-12(21)7-10-24-13-6-2-3-8-18-13/h2-6,8-9H,7,10H2,1H3,(H,20,21)
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| InChIKey |
UADOYSQUNWRUHT-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