General Information of the Compound
| Compound ID |
CP0386474
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| Compound Name |
1-[(4-fluorophenyl)methyl]-5-(7-methoxy-4-methyl-2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C23H17FN2O3
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| Molecular Weight |
388.398
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| Canonical SMILES |
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C23H17FN2O3/c1-14-9-23(27)29-22-11-21(28-2)19(10-18(14)22)20-8-7-17(12-25)26(20)13-15-3-5-16(24)6-4-15/h3-11H,13H2,1-2H3
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| InChIKey |
DYZJWTFYVLRGLB-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