General Information of the Compound
| Compound ID |
CP0882786
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| Compound Name |
(+)-1-(5-{[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)octahydroquinoxalin-1(2H)-yl]carbonyl}-2-furyl)ethanone
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| Structure |
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| Formula |
C25H29N5O5
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| Molecular Weight |
479.537
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| Canonical SMILES |
COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
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| InChI |
InChI=1S/C25H29N5O5/c1-14(31)19-8-9-20(35-19)24(32)29-10-11-30(18-7-5-4-6-17(18)29)25-27-16-13-22(34-3)21(33-2)12-15(16)23(26)28-25/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,26,27,28)/t17-,18+/m0/s1
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| InChIKey |
HDPKXGPZKXRUAV-ZWKOTPCHSA-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