General Information of the Compound
| Compound ID |
CP0454587
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| Compound Name |
1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
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| Structure |
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| Formula |
C22H30N2O2
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| Molecular Weight |
354.494
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| Canonical SMILES |
COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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| InChI |
InChI=1S/C22H30N2O2/c1-18(2)26-22-7-5-4-6-21(22)24-16-14-23(15-17-24)13-12-19-8-10-20(25-3)11-9-19/h4-11,18H,12-17H2,1-3H3
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| InChIKey |
MVQIIUYTULUULJ-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: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor