General Information of the Compound
| Compound ID |
CP0393798
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| Compound Name |
propan-2-yl 2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-5-(2,2,2-trifluoroacetyl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C23H22F3NO5
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| Molecular Weight |
449.425
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)NC(C)=C(C1c1cccc2c1oc(C)cc2=O)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3NO5/c1-10(2)31-22(30)18-13(5)27-12(4)17(21(29)23(24,25)26)19(18)15-8-6-7-14-16(28)9-11(3)32-20(14)15/h6-10,19,27H,1-5H3
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| InChIKey |
BWKNNRXAIUONKR-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