General Information of the Compound
| Compound ID |
CP0518643
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| Compound Name |
US9200001, 130
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| Structure |
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| Formula |
C20H20N8O
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| Molecular Weight |
388.435
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)C(N)=O)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H20N8O/c1-10-22-11(2)28(26-10)17-9-15(23-19(25-17)18(21)29)12-8-13(12)20-24-14-6-4-5-7-16(14)27(20)3/h4-7,9,12-13H,8H2,1-3H3,(H2,21,29)/t12-,13-/m0/s1
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| InChIKey |
JWQUTBYUCROQER-STQMWFEESA-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