General Information of the Compound
| Compound ID |
CP0049709
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| Compound Name |
2-(4-Furan-2-yl-piperazin-1-yl)-6,7-dimethoxy-quinazolin-4-ylamine
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| Structure |
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| Formula |
C18H21N5O3
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| Molecular Weight |
355.398
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1
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| InChI |
InChI=1S/C18H21N5O3/c1-24-14-10-12-13(11-15(14)25-2)20-18(21-17(12)19)23-7-5-22(6-8-23)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)
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| InChIKey |
WESSELXZMWZPLT-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