General Information of the Compound
| Compound ID |
CP0102970
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| Compound Name |
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C28H36N6O2
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| Molecular Weight |
488.636
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| Canonical SMILES |
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N
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| InChI |
InChI=1S/C28H36N6O2/c29-19-24-20-30-27(31-24)28(35)32-26-7-6-23(18-25(26)22-4-2-1-3-5-22)21-8-10-33(11-9-21)12-13-34-14-16-36-17-15-34/h4,6-7,18,20-21H,1-3,5,8-17H2,(H,30,31)(H,32,35)
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| InChIKey |
MVPRWLBKNHWFPM-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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