General Information of the Compound
| Compound ID |
CP0954494
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| Compound Name |
US9200001, 59
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
COc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1
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| InChI |
InChI=1S/C20H21N7O/c1-10-22-17(9-19(23-10)27-12(3)21-11(2)26-27)14-8-15(14)20-24-16-6-5-13(28-4)7-18(16)25-20/h5-7,9,14-15H,8H2,1-4H3,(H,24,25)
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| InChIKey |
XOBZSGZRUIINSE-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