General Information of the Compound
| Compound ID |
CP0376774
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| Compound Name |
5-(2-oxochromen-6-yl)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C21H9F5N2O2
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| Molecular Weight |
416.305
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| Canonical SMILES |
Fc1c(F)c(F)c(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)c(F)c1F
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| InChI |
InChI=1S/C21H9F5N2O2/c22-17-13(18(23)20(25)21(26)19(17)24)9-28-12(8-27)3-4-14(28)10-1-5-15-11(7-10)2-6-16(29)30-15/h1-7H,9H2
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| InChIKey |
XGEXDPDJCULFKB-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