General Information of the Compound
| Compound ID |
CP0577859
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| Compound Name |
US9409915, 17
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| Structure |
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| Formula |
C22H21ClN6O
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| Molecular Weight |
420.904
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| Canonical SMILES |
COc1nc(cc2nc([nH]c12)-c1c(C#N)c(nn1C)C(C)(C)C)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H21ClN6O/c1-22(2,3)19-13(11-24)18(29(4)28-19)20-25-16-10-15(12-8-6-7-9-14(12)23)26-21(30-5)17(16)27-20/h6-10H,1-5H3,(H,25,27)
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| InChIKey |
RMXKDZPNBSYURV-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