General Information of the Compound
| Compound ID |
CP0270867
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| Compound Name |
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2-isopropyl-6-methoxy-phenoxy)-propan-1-one
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| Structure |
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| Formula |
C27H35N5O5
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| Molecular Weight |
509.607
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
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| InChI |
InChI=1S/C27H35N5O5/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30)
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| InChIKey |
XLJAXHKXAQXROY-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