General Information of the Compound
| Compound ID |
CP0122632
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| Compound Name |
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-3-phenyl-propane-1,3-dione
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| Structure |
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| Formula |
C23H25N5O4
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| Molecular Weight |
435.484
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(=O)c1ccccc1
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| InChI |
InChI=1S/C23H25N5O4/c1-31-19-12-16-17(13-20(19)32-2)25-23(26-22(16)24)28-10-8-27(9-11-28)21(30)14-18(29)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,24,25,26)
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| InChIKey |
PXWNTBGUQKWMOQ-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