General Information of the Compound
| Compound ID |
CP0436369
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| Compound Name |
6-(4-(2-((S)-2-hydroxy-3-(3-isobutyl-2-oxoindolin-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C31H38N4O5
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| Molecular Weight |
546.668
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| Canonical SMILES |
CC(C)CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
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| InChI |
InChI=1S/C31H38N4O5/c1-19(2)14-24-28-25(35-30(24)38)6-5-7-26(28)39-18-22(36)17-34-31(3,4)15-20-8-11-23(12-9-20)40-27-13-10-21(16-33-27)29(32)37/h5-13,16,19,22,24,34,36H,14-15,17-18H2,1-4H3,(H2,32,37)(H,35,38)/t22-,24?/m0/s1
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| InChIKey |
JSEVUWGJHDUHQY-OWJIYDKWSA-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