General Information of the Compound
| Compound ID |
CP0377058
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| Compound Name |
1-(naphthalen-2-ylmethyl)-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C25H16N2O2
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| Molecular Weight |
376.415
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H16N2O2/c26-15-22-9-10-23(20-7-11-24-21(14-20)8-12-25(28)29-24)27(22)16-17-5-6-18-3-1-2-4-19(18)13-17/h1-14H,16H2
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| InChIKey |
WRAPMDVSJRJPJW-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