General Information of the Compound
| Compound ID |
CP0559641
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| Compound Name |
US9200001, 62
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| Structure |
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| Formula |
C20H22N8
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| Molecular Weight |
374.452
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| Canonical SMILES |
CNc1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H22N8/c1-11-22-12(2)28(26-11)18-10-16(24-20(21-3)25-18)13-9-14(13)19-23-15-7-5-6-8-17(15)27(19)4/h5-8,10,13-14H,9H2,1-4H3,(H,21,24,25)/t13-,14-/m1/s1
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| InChIKey |
MMZUNRYMFIZVCH-ZIAGYGMSSA-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