General Information of the Compound
| Compound ID |
CP0129932
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| Compound Name |
3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-biphenyl-4-yl)methyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C31H38N4O4S
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| Molecular Weight |
562.736
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
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| InChI |
InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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| InChIKey |
MLGCITBDCGSKQS-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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