General Information of the Compound
| Compound ID |
CP0417209
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| Compound Name |
6-(4-(2-((S)-2-hydroxy-3-(3-methyl-2-oxoindolin-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C28H32N4O5
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| Molecular Weight |
504.587
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| Canonical SMILES |
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/C28H32N4O5/c1-17-25-22(32-27(17)35)5-4-6-23(25)36-16-20(33)15-31-28(2,3)13-18-7-10-21(11-8-18)37-24-12-9-19(14-30-24)26(29)34/h4-12,14,17,20,31,33H,13,15-16H2,1-3H3,(H2,29,34)(H,32,35)/t17?,20-/m0/s1
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| InChIKey |
WAMWYZOEWMINIF-OZBJMMHXSA-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