General Information of the Compound
| Compound ID |
CP0371753
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| Compound Name |
6-(4-(2-((S)-3-(3-benzyl-2-oxoindolin-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C34H36N4O5
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| Molecular Weight |
580.685
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| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(Cc3ccccc3)c12
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| InChI |
InChI=1S/C34H36N4O5/c1-34(2,18-23-11-14-26(15-12-23)43-30-16-13-24(19-36-30)32(35)40)37-20-25(39)21-42-29-10-6-9-28-31(29)27(33(41)38-28)17-22-7-4-3-5-8-22/h3-16,19,25,27,37,39H,17-18,20-21H2,1-2H3,(H2,35,40)(H,38,41)/t25-,27?/m0/s1
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| InChIKey |
NNYKUVQEGQHDMX-PVCWFJFTSA-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