General Information of the Compound
| Compound ID |
CP0517993
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| Compound Name |
CHEMBL3104900
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| Formula |
C19H16N4OS
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| Molecular Weight |
348.431
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| Canonical SMILES |
Oc1cc(CSc2ccccc2)nc2nc(Cc3ccccc3)nn12
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| InChI |
InChI=1S/C19H16N4OS/c24-18-12-15(13-25-16-9-5-2-6-10-16)20-19-21-17(22-23(18)19)11-14-7-3-1-4-8-14/h1-10,12,24H,11,13H2
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| InChIKey |
UOBSUDRNOYUQQK-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