General Information of the Compound
| Compound ID |
CP0452608
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| Compound Name |
8-[[N-(cyanomethyl)-3,5-difluoroanilino]methyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
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| Structure |
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| Formula |
C25H24F2N4O4
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| Molecular Weight |
482.487
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| Canonical SMILES |
CN(C)C(=O)c1cc(CN(CC#N)c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
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| InChI |
InChI=1S/C25H24F2N4O4/c1-29(2)25(33)16-9-17(15-31(4-3-28)20-12-18(26)11-19(27)13-20)24-21(10-16)22(32)14-23(35-24)30-5-7-34-8-6-30/h9-14H,4-8,15H2,1-2H3
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| InChIKey |
BRJZVQUFJJMCHL-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