General Information of the Compound
| Compound ID |
CP0386216
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| Compound Name |
1-(cyanomethyl)-5-[7-(diethylamino)-2-oxochromen-6-yl]pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1CC#N
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| InChI |
InChI=1S/C20H18N4O2/c1-3-23(4-2)18-12-19-14(5-8-20(25)26-19)11-16(18)17-7-6-15(13-22)24(17)10-9-21/h5-8,11-12H,3-4,10H2,1-2H3
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| InChIKey |
BYSZGDCMOGZWSE-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