General Information of the Compound
| Compound ID |
CP0058579
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| Compound Name |
5-(4-chlorophenyl)-3-[4-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C23H19ClF2N4O3S
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| Molecular Weight |
504.946
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| Canonical SMILES |
CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1
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| InChI |
InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28)
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| InChIKey |
LLAFAUCUKNMECC-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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