General Information of the Compound
| Compound ID |
CP0446806
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| Compound Name |
1-[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2,2-dimethylpropan-1-one
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| Structure |
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| Formula |
C23H33N5O3
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| Molecular Weight |
427.549
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C(C)(C)C
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| InChI |
InChI=1S/C23H33N5O3/c1-23(2,3)21(29)27-10-11-28(17-9-7-6-8-16(17)27)22-25-15-13-19(31-5)18(30-4)12-14(15)20(24)26-22/h12-13,16-17H,6-11H2,1-5H3,(H2,24,25,26)/t16-,17+/m0/s1
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| InChIKey |
HEMORBXXFYODCC-DLBZAZTESA-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor