General Information of the Compound
| Compound ID |
CP0096797
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| Compound Name |
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-4-phenyl-butane-1,4-dione
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| Structure |
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCC(=O)c1ccccc1
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| InChI |
InChI=1S/C24H27N5O4/c1-32-20-14-17-18(15-21(20)33-2)26-24(27-23(17)25)29-12-10-28(11-13-29)22(31)9-8-19(30)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,25,26,27)
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| InChIKey |
FTDBTBLFOYBMNU-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: PT01339, Alpha-1A adrenergic receptor
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor