General Information of the Compound
| Compound ID |
CP0424778
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| Compound Name |
6-(4-(2-((S)-2-hydroxy-3-(3-isopropyl-2-oxoindolin-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
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| Structure |
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| Formula |
C30H36N4O5
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| Molecular Weight |
532.641
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| Canonical SMILES |
CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
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| InChI |
InChI=1S/C30H36N4O5/c1-18(2)26-27-23(34-29(26)37)6-5-7-24(27)38-17-21(35)16-33-30(3,4)14-19-8-11-22(12-9-19)39-25-13-10-20(15-32-25)28(31)36/h5-13,15,18,21,26,33,35H,14,16-17H2,1-4H3,(H2,31,36)(H,34,37)/t21-,26?/m0/s1
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| InChIKey |
GJQJAGBAGXHUOX-GVNKFJBHSA-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