General Information of the Compound
| Compound ID |
CP0275514
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| Compound Name |
1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl]-3,5-dimethyl-1H-pyrazole
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| Structure |
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| Formula |
C25H28N4OS
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| Molecular Weight |
432.593
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| Canonical SMILES |
Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
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| InChI |
InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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| InChIKey |
POQMHHDKXWTFHB-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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