General Information of the Compound
| Compound ID |
CP0526745
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| Compound Name |
N-[3-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-4-methylphenyl]-3-cyclohexylpropanamide
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| Structure |
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| Formula |
C24H27N3O
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| Molecular Weight |
373.5
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| Canonical SMILES |
Cc1ccc(NC(=O)CCC2CCCCC2)cc1\C=C(/C#N)c1cccnc1
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| InChI |
InChI=1S/C24H27N3O/c1-18-9-11-23(27-24(28)12-10-19-6-3-2-4-7-19)15-21(18)14-22(16-25)20-8-5-13-26-17-20/h5,8-9,11,13-15,17,19H,2-4,6-7,10,12H2,1H3,(H,27,28)/b22-14+
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| InChIKey |
FWRQTZPEKIUTMG-HYARGMPZSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound