General Information of the Compound
| Compound ID |
CP0231775
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| Compound Name |
US8680275, 88
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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 |
Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc(C)cc(C)n2)c(n1)-n1ccnn1
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| InChI |
InChI=1S/C21H24N8O/c1-13-4-5-17(19(23-13)29-9-7-22-26-29)20(30)27-8-6-16-11-28(18(16)12-27)21-24-14(2)10-15(3)25-21/h4-5,7,9-10,16,18H,6,8,11-12H2,1-3H3/t16-,18-/m0/s1
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| InChIKey |
BBZMSEWQYBHXNQ-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