General Information of the Compound
| Compound ID |
CP0563290
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| Compound Name |
US9200001, 72
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| Structure |
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| Formula |
C23H28N8
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| Molecular Weight |
416.533
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| Canonical SMILES |
CN(C)CCn1c(nc2ccccc12)[C@@H]1C[C@H]1c1cc(nc(C)n1)-n1nc(C)nc1C
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| InChI |
InChI=1S/C23H28N8/c1-14-25-20(13-22(26-14)31-16(3)24-15(2)28-31)17-12-18(17)23-27-19-8-6-7-9-21(19)30(23)11-10-29(4)5/h6-9,13,17-18H,10-12H2,1-5H3/t17-,18-/m1/s1
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| InChIKey |
BRTQYMHRECRLIM-QZTJIDSGSA-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