General Information of the Compound
| Compound ID |
CP0861821
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| Compound Name |
(S)-1-(4-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}phenyl)-3-phenylurea hydrochloride
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| Structure |
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| Formula |
C24H28ClN3O3
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| Molecular Weight |
441.959
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| Canonical SMILES |
Cl.O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C24H27N3O3.ClH/c28-22(18-30-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(29)26-20-7-3-1-4-8-20;/h1-14,22,25,28H,15-18H2,(H2,26,27,29);1H/t22-;/m0./s1
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| InChIKey |
ZQIQTQSFUVDFCQ-FTBISJDPSA-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