General Information of the Compound
| Compound ID |
CP0537175
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| Compound Name |
methyl 2-[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylacetate
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| Structure |
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| Formula |
C15H13FN2O3S
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| Molecular Weight |
320.345
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| Canonical SMILES |
COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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| InChIKey |
SHLGVUBRPWNMLF-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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