General Information of the Compound
| Compound ID |
CP0474485
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| Compound Name |
US9029381, 46
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| Structure |
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| Formula |
C22H26N4O
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| Molecular Weight |
362.477
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| Canonical SMILES |
O=C([C@H]1CC1c1ccc(cc1)-c1cncnc1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C22H26N4O/c27-22(26-10-8-25(9-11-26)19-2-1-3-19)21-12-20(21)17-6-4-16(5-7-17)18-13-23-15-24-14-18/h4-7,13-15,19-21H,1-3,8-12H2/t20?,21-/m0/s1
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| InChIKey |
LBBNKTXKCLISAN-LBAQZLPGSA-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