General Information of the Compound
| Compound ID |
CP0543161
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| Compound Name |
propan-2-yl 5-cyano-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)NC(C)=C(C#N)C1c1cccc2c1oc(C)cc2=O
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| InChI |
InChI=1S/C22H22N2O4/c1-11(2)27-22(26)19-14(5)24-13(4)17(10-23)20(19)16-8-6-7-15-18(25)9-12(3)28-21(15)16/h6-9,11,20,24H,1-5H3
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| InChIKey |
KMSZTYADDFBBOT-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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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