General Information of the Compound
| Compound ID |
CP0403861
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| Compound Name |
1-(9H-Carbazol-4-yloxy)-3-[(1-hexyl-piperidin-4-ylmethyl)-amino]-propan-2-ol
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
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| InChI |
InChI=1S/C27H39N3O2/c1-2-3-4-7-15-30-16-13-21(14-17-30)18-28-19-22(31)20-32-26-12-8-11-25-27(26)23-9-5-6-10-24(23)29-25/h5-6,8-12,21-22,28-29,31H,2-4,7,13-20H2,1H3/t22-/m0/s1
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| InChIKey |
DZVZIRACKZBQCA-QFIPXVFZSA-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