General Information of the Compound
| Compound ID |
CP0358354
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| Compound Name |
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2,6-dimethoxy-phenoxy)-ethanone
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| Structure |
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| Formula |
C24H29N5O6
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| Molecular Weight |
483.525
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| Canonical SMILES |
COc1cccc(OC)c1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
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| InChI |
InChI=1S/C24H29N5O6/c1-31-17-6-5-7-18(32-2)22(17)35-14-21(30)28-8-10-29(11-9-28)24-26-16-13-20(34-4)19(33-3)12-15(16)23(25)27-24/h5-7,12-13H,8-11,14H2,1-4H3,(H2,25,26,27)
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| InChIKey |
TVKDDIPFFFMLKI-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