General Information of the Compound
| Compound ID |
CP0514522
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| Compound Name |
1-[(4-nitrophenyl)methyl]-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C21H13N3O4
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| Molecular Weight |
371.352
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)cc1
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| InChI |
InChI=1S/C21H13N3O4/c22-12-18-7-8-19(15-3-9-20-16(11-15)4-10-21(25)28-20)23(18)13-14-1-5-17(6-2-14)24(26)27/h1-11H,13H2
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| InChIKey |
YWFKGEUMVYHGIM-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