General Information of the Compound
| Compound ID |
CP0020367
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| Compound Name |
3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-7-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H13ClFN3O2S2
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| Molecular Weight |
433.917
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| Canonical SMILES |
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
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| InChI |
InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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| InChIKey |
PILHXMMEJPSZLL-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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