General Information of the Compound
| Compound ID |
CP0390476
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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]hexan-1-one
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| Structure |
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| Formula |
C24H35N5O3
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| Molecular Weight |
441.576
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| Canonical SMILES |
CCCCCC(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
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| InChI |
InChI=1S/C24H35N5O3/c1-4-5-6-11-22(30)28-12-13-29(19-10-8-7-9-18(19)28)24-26-17-15-21(32-3)20(31-2)14-16(17)23(25)27-24/h14-15,18-19H,4-13H2,1-3H3,(H2,25,26,27)/t18-,19+/m0/s1
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| InChIKey |
RGGIGJAIAGZDRS-RBUKOAKNSA-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