General Information of the Compound
| Compound ID |
CP0872835
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| Compound Name |
(+)-6,7-dimethoxy-2-[(4aS,8aR)-4-(5-methoxy-2-furoyl)octahydroquinoxalin-1(2H)-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C24H29N5O5
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| Molecular Weight |
467.526
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| Canonical SMILES |
COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1
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| InChI |
InChI=1S/C24H29N5O5/c1-31-19-12-14-15(13-20(19)32-2)26-24(27-22(14)25)29-11-10-28(16-6-4-5-7-17(16)29)23(30)18-8-9-21(33-3)34-18/h8-9,12-13,16-17H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t16-,17+/m0/s1
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| InChIKey |
YPZGDVOCTNSNRN-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