General Information of the Compound
| Compound ID |
CP0388281
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| Compound Name |
(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperidin-4-yl)(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
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| InChI |
InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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| InChIKey |
NRJOGQSIFAHXIH-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor