General Information of the Compound
| Compound ID |
CP0851810
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| Compound Name |
Phenyl (S)-(4-{2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl}phenyl)carbamate hydrochloride
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| Structure |
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| Formula |
C24H27ClN2O4
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| Molecular Weight |
442.943
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| Canonical SMILES |
Cl.O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1
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| InChI |
InChI=1S/C24H26N2O4.ClH/c27-21(18-29-22-7-3-1-4-8-22)17-25-16-15-19-11-13-20(14-12-19)26-24(28)30-23-9-5-2-6-10-23;/h1-14,21,25,27H,15-18H2,(H,26,28);1H/t21-;/m0./s1
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| InChIKey |
LEJIWXLFJUJEEP-BOXHHOBZSA-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