General Information of the Compound
| Compound ID |
CP0557759
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| Compound Name |
US8680275, 163
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| Structure |
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| Formula |
C21H24N8O2
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| Molecular Weight |
420.477
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| Canonical SMILES |
COc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc(C)cc(C)n2)c(n1)-n1ccnn1
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| InChI |
InChI=1S/C21H24N8O2/c1-13-10-14(2)24-21(23-13)28-11-15-6-8-27(12-17(15)28)20(30)16-4-5-18(31-3)25-19(16)29-9-7-22-26-29/h4-5,7,9-10,15,17H,6,8,11-12H2,1-3H3/t15-,17-/m0/s1
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| InChIKey |
IIGDQSZHCOLSQF-RDJZCZTQSA-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