General Information of the Compound
| Compound ID |
CP0529496
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| Compound Name |
US9409915, 102
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| Structure |
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| Formula |
C20H20ClN5O
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| Molecular Weight |
381.867
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| Canonical SMILES |
COc1nc(cc2nc([nH]c12)-c1cnn(c1)C(C)(C)C)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H20ClN5O/c1-20(2,3)26-11-12(10-22-26)18-23-16-9-15(13-7-5-6-8-14(13)21)24-19(27-4)17(16)25-18/h5-11H,1-4H3,(H,23,25)
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| InChIKey |
VQZSALFKKGSHOO-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