General Information of the Compound
| Compound ID |
CP0872936
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| Compound Name |
(+)-2-[(4aS,8aR)-4-(5-bromo-2-furoyl)octahydroquinoxalin-1(2H)-yl]-6,7-dimethoxyquinazolin-4-amine
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| Structure |
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| Formula |
C23H26BrN5O4
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| Molecular Weight |
516.396
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| Canonical SMILES |
COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
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| InChI |
InChI=1S/C23H26BrN5O4/c1-31-18-11-13-14(12-19(18)32-2)26-23(27-21(13)25)29-10-9-28(15-5-3-4-6-16(15)29)22(30)17-7-8-20(24)33-17/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3,(H2,25,26,27)/t15-,16+/m0/s1
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| InChIKey |
CKDALLRCYSNSRF-JKSUJKDBSA-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