General Information of the Compound
| Compound ID |
CP0532985
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| Compound Name |
US8975261, I-39
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1ncc(C)cc1-c1cnn2CCCc12
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| InChI |
InChI=1S/C22H24N4O2/c1-14-8-18(19-12-25-26-7-3-4-21(19)26)22(24-10-14)28-13-15-9-17(15)20-6-5-16(27-2)11-23-20/h5-6,8,10-12,15,17H,3-4,7,9,13H2,1-2H3/t15-,17+/m1/s1
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| InChIKey |
GHQCBMSEFZPBLC-WBVHZDCISA-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