General Information of the Compound
| Compound ID |
CP0540586
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| Compound Name |
methyl 4-chloro-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoate
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| Structure |
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| Formula |
C16H15ClN2O3S
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| Molecular Weight |
350.827
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| Canonical SMILES |
COC(=O)c1ccc(Cl)cc1NC(=O)CCSc1ccccn1
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| InChI |
InChI=1S/C16H15ClN2O3S/c1-22-16(21)12-6-5-11(17)10-13(12)19-14(20)7-9-23-15-4-2-3-8-18-15/h2-6,8,10H,7,9H2,1H3,(H,19,20)
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| InChIKey |
ACAYZIFOJJIFLZ-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