General Information of the Compound
| Compound ID |
CP0408342
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| Compound Name |
1-[(3,5-difluorophenyl)methyl]-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C21H12F2N2O2
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| Molecular Weight |
362.335
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| Canonical SMILES |
Fc1cc(F)cc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)c1
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| InChI |
InChI=1S/C21H12F2N2O2/c22-16-7-13(8-17(23)10-16)12-25-18(11-24)3-4-19(25)14-1-5-20-15(9-14)2-6-21(26)27-20/h1-10H,12H2
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| InChIKey |
NIDQVGMQJYGJEB-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