General Information of the Compound
| Compound ID |
CP0526525
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| Compound Name |
US8772304, 11
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| Structure |
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
COc1cccc(n1)-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H22N6O/c1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h5-12H,1-4H3,(H2,22,23,24)
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| InChIKey |
WECKLERIGDQMJL-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