General Information of the Compound
| Compound ID |
CP0424781
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| Compound Name |
(S)-6-(4-(2-(3-(3,3-dibenzyl-2-oxoindolin-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C41H42N4O5
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| Molecular Weight |
670.81
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| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(Cc3ccccc3)(Cc3ccccc3)c12
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| InChI |
InChI=1S/C41H42N4O5/c1-40(2,22-30-16-19-33(20-17-30)50-36-21-18-31(25-43-36)38(42)47)44-26-32(46)27-49-35-15-9-14-34-37(35)41(39(48)45-34,23-28-10-5-3-6-11-28)24-29-12-7-4-8-13-29/h3-21,25,32,44,46H,22-24,26-27H2,1-2H3,(H2,42,47)(H,45,48)/t32-/m0/s1
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| InChIKey |
BGHYFJPSEDCVLZ-YTTGMZPUSA-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