General Information of the Compound
| Compound ID |
CP0228541
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| Compound Name |
5-[7-(diethylamino)-2-oxochromen-6-yl]-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C19H19N3O2/c1-4-22(5-2)17-11-18-13(6-9-19(23)24-18)10-15(17)16-8-7-14(12-20)21(16)3/h6-11H,4-5H2,1-3H3
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| InChIKey |
KQOPRUXRGLXURF-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