General Information of the Compound
| Compound ID |
CP0512674
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| Compound Name |
US8772323, 119
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| Structure |
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| Formula |
C15H16N4O2S
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| Molecular Weight |
316.386
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| Canonical SMILES |
O=C1CCC(=NN1)c1ccc2nc(oc2c1)N1CCSCC1
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| InChI |
InChI=1S/C15H16N4O2S/c20-14-4-3-11(17-18-14)10-1-2-12-13(9-10)21-15(16-12)19-5-7-22-8-6-19/h1-2,9H,3-8H2,(H,18,20)
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| InChIKey |
LRSNWTOWYOEWMX-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