General Information of the Compound
| Compound ID |
CP0122703
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| Compound Name |
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2-methoxy-phenoxy)-ethanone
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| Structure |
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| Formula |
C23H27N5O5
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| Molecular Weight |
453.499
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| Canonical SMILES |
COc1ccccc1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
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| InChI |
InChI=1S/C23H27N5O5/c1-30-17-6-4-5-7-18(17)33-14-21(29)27-8-10-28(11-9-27)23-25-16-13-20(32-3)19(31-2)12-15(16)22(24)26-23/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,26)
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| InChIKey |
LPHYFVMMGUVREO-UHFFFAOYSA-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: PT01339, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor