General Information of the Compound
| Compound ID |
CP0274585
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-7-(3-(methylsulfonyl)phenyl)thieno[3,2-c]pyridin-4-amine
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| Structure |
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| Formula |
C20H14ClFN2O2S2
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| Molecular Weight |
432.929
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H14ClFN2O2S2/c1-28(25,26)13-4-2-3-11(7-13)14-9-24-20(23)18-15(10-27-19(14)18)12-5-6-17(22)16(21)8-12/h2-10H,1H3,(H2,23,24)
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| InChIKey |
NXQBRUJRHTXZMO-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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