General Information of the Compound
| Compound ID |
CP0501166
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| Compound Name |
N-[4-[2-[[(2S)-3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]amino]ethyl]phenyl]-4-ethylbenzenesulfonamide
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| Structure |
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| Formula |
C24H30N4O4S
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| Molecular Weight |
470.595
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
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| InChI |
InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/m0/s1
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| InChIKey |
REYSXKCQMOFODI-NRFANRHFSA-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