General Information of the Compound
| Compound ID |
CP0858962
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| Compound Name |
(+)-6,7-dimethoxy-2-[(4aS,8aR)-4-(pyridin-2-ylcarbonyl)octahydroquinoxalin-1(2H)-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
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| InChI |
InChI=1S/C24H28N6O3/c1-32-20-13-15-17(14-21(20)33-2)27-24(28-22(15)25)30-12-11-29(18-8-3-4-9-19(18)30)23(31)16-7-5-6-10-26-16/h5-7,10,13-14,18-19H,3-4,8-9,11-12H2,1-2H3,(H2,25,27,28)/t18-,19+/m0/s1
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| InChIKey |
WORVXKSIJZQWMH-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