General Information of the Compound
| Compound ID |
CP0170418
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| Compound Name |
US8680275, 160
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| Structure |
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| Formula |
C21H24N8O
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| Molecular Weight |
404.478
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| Canonical SMILES |
Cc1cnc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1)-n1nccn1
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| InChI |
InChI=1S/C21H24N8O/c1-13-8-17(19(22-10-13)29-23-5-6-24-29)20(30)27-7-4-16-11-28(18(16)12-27)21-25-14(2)9-15(3)26-21/h5-6,8-10,16,18H,4,7,11-12H2,1-3H3/t16-,18-/m0/s1
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| InChIKey |
TWRZQMSBBKPDSB-WMZOPIPTSA-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