General Information of the Compound
| Compound ID |
CP0386215
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| Compound Name |
1-[(4-cyanophenyl)methyl]-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C22H13N3O2
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| Molecular Weight |
351.365
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H13N3O2/c23-12-15-1-3-16(4-2-15)14-25-19(13-24)7-8-20(25)17-5-9-21-18(11-17)6-10-22(26)27-21/h1-11H,14H2
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| InChIKey |
GXKNDUSVKJMGRL-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