General Information of the Compound
| Compound ID |
CP0409669
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| Compound Name |
(S)-6-(4-(2-(3-(3-(2-cyclobutylethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C32H39N5O5
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| Molecular Weight |
573.694
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| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12
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| InChI |
InChI=1S/C32H39N5O5/c1-32(2,17-22-9-12-25(13-10-22)42-28-14-11-23(18-34-28)30(33)39)35-19-24(38)20-41-27-8-4-7-26-29(27)37(31(40)36-26)16-15-21-5-3-6-21/h4,7-14,18,21,24,35,38H,3,5-6,15-17,19-20H2,1-2H3,(H2,33,39)(H,36,40)/t24-/m0/s1
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| InChIKey |
HJPFFQXHOWOXMX-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
Protein ID: PT04360, Beta-3 adrenergic receptor