General Information of the Compound
| Compound ID |
CP0442234
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| Compound Name |
US8975261, I-73
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(C)nc1
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| InChI |
InChI=1S/C21H22N4O2/c1-13-4-5-15(9-22-13)19-11-23-14(2)25-21(19)27-12-16-8-18(16)20-7-6-17(26-3)10-24-20/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1
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| InChIKey |
RHMDAALVGLZJPI-AEFFLSMTSA-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