General Information of the Compound
| Compound ID |
CP0467735
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| Compound Name |
1-[4-[2-[[(2S)-3-(2-ethylphenoxy)-2-hydroxypropyl]amino]ethyl]phenyl]-3-phenylthiourea
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| Structure |
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| Formula |
C26H31N3O2S
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| Molecular Weight |
449.62
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| Canonical SMILES |
CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C26H31N3O2S/c1-2-21-8-6-7-11-25(21)31-19-24(30)18-27-17-16-20-12-14-23(15-13-20)29-26(32)28-22-9-4-3-5-10-22/h3-15,24,27,30H,2,16-19H2,1H3,(H2,28,29,32)/t24-/m0/s1
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| InChIKey |
SZNVFIFLGXGBJM-DEOSSOPVSA-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