General Information of the Compound
| Compound ID |
CP0506732
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| Compound Name |
US9200001, 114
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| Structure |
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| Formula |
C21H24N8
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| Molecular Weight |
388.479
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| Canonical SMILES |
CN(C)c1nc(cc(n1)-n1nc(C)nc1C)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C21H24N8/c1-12-22-13(2)29(26-12)19-11-17(24-21(25-19)27(3)4)14-10-15(14)20-23-16-8-6-7-9-18(16)28(20)5/h6-9,11,14-15H,10H2,1-5H3/t14-,15-/m0/s1
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| InChIKey |
DJCACNQAKVSNOL-GJZGRUSLSA-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