General Information of the Compound
| Compound ID |
CP0460031
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| Compound Name |
US8772304, 33
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| Structure |
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| Formula |
C22H24N6O
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| Molecular Weight |
388.475
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| Canonical SMILES |
CCOc1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H24N6O/c1-5-29-20-16(7-6-10-24-20)19-27-17-11-14(15-12-25-21(23)26-13-15)8-9-18(17)28(19)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,25,26)
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| InChIKey |
DWCWSXDKJPOINU-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