General Information of the Compound
| Compound ID |
CP0439488
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-amino}ethyl)-2-(2-pyridyl)acetanilide
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| Structure |
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| Formula |
C30H30N4O3
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| Molecular Weight |
494.595
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C30H30N4O3/c35-24(20-37-28-10-5-9-27-30(28)25-7-1-2-8-26(25)34-27)19-31-17-15-21-11-13-22(14-12-21)33-29(36)18-23-6-3-4-16-32-23/h1-14,16,24,31,34-35H,15,17-20H2,(H,33,36)/t24-/m0/s1
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| InChIKey |
AGRJTCRVGVQVTB-DEOSSOPVSA-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