General Information of the Compound
| Compound ID |
CP0551845
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| Compound Name |
CHEMBL3105086
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| Formula |
C14H8F2N4OS
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| Molecular Weight |
318.308
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| Canonical SMILES |
Oc1cc(CSc2cccc(F)c2F)nc2c(cnn12)C#N
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| InChI |
InChI=1S/C14H8F2N4OS/c15-10-2-1-3-11(13(10)16)22-7-9-4-12(21)20-14(19-9)8(5-17)6-18-20/h1-4,6,21H,7H2
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| InChIKey |
GXGFWSFOHDNNHT-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