General Information of the Compound
| Compound ID |
CP0203289
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| Compound Name |
US9505765, 196
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| Structure |
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| Formula |
C13H15ClN4O2
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| Molecular Weight |
294.742
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| Canonical SMILES |
CC(C)COc1ncnc2[nH]cc(\C=C(/Cl)C(N)=O)c12
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| InChI |
InChI=1S/C13H15ClN4O2/c1-7(2)5-20-13-10-8(3-9(14)11(15)19)4-16-12(10)17-6-18-13/h3-4,6-7H,5H2,1-2H3,(H2,15,19)(H,16,17,18)/b9-3-
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| InChIKey |
YIGLAOIVUJQLRW-OQFOIZHKSA-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