General Information of the Compound
| Compound ID |
CP0458653
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| Compound Name |
(S)-6-(4-(2-(3-(3,3-diethyl-2-oxoindolin-4-yloxy)-2-hydroxypropylamino)-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 |
CCC1(CC)C(=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/c1-5-31(6-2)27-24(35-29(31)38)8-7-9-25(27)39-19-22(36)18-34-30(3,4)16-20-10-13-23(14-11-20)40-26-15-12-21(17-33-26)28(32)37/h7-15,17,22,34,36H,5-6,16,18-19H2,1-4H3,(H2,32,37)(H,35,38)/t22-/m0/s1
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| InChIKey |
FCHGBYSOXBSHIM-QFIPXVFZSA-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