General Information of the Compound
| Compound ID |
CP0503976
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| Compound Name |
US9200001, 80
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| Structure |
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| Formula |
C19H20N8
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| Molecular Weight |
360.425
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ncccc2n1C
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| InChI |
InChI=1S/C19H20N8/c1-10-22-15(9-17(23-10)27-12(3)21-11(2)25-27)13-8-14(13)19-24-18-16(26(19)4)6-5-7-20-18/h5-7,9,13-14H,8H2,1-4H3/t13-,14-/m0/s1
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| InChIKey |
PMBUVOJJFKGCEU-KBPBESRZSA-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