General Information of the Compound
| Compound ID |
CP0086097
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| Compound Name |
US8575201, 80
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| Structure |
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| Formula |
C19H18N8O
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| Molecular Weight |
374.408
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| Canonical SMILES |
Cc1cc([nH]n1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C19H18N8O/c1-11-7-15(26-25-11)16-24-17(27-28-16)19(5-2-6-19)13-3-4-14(21-10-13)12-8-22-18(20)23-9-12/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
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| InChIKey |
BWJXTDQJFPUODC-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