General Information of the Compound
| Compound ID |
CP0180471
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| Compound Name |
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C25H31N5O3S
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| Molecular Weight |
481.622
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| Canonical SMILES |
CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
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| InChI |
InChI=1S/C25H31N5O3S/c1-34(32,33)14-13-30-11-9-18(10-12-30)20-7-8-23(22(15-20)19-5-3-2-4-6-19)29-25(31)24-27-17-21(16-26)28-24/h5,7-8,15,17-18H,2-4,6,9-14H2,1H3,(H,27,28)(H,29,31)
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| InChIKey |
SPZDCHRXPBSIHM-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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