General Information of the Compound
| Compound ID |
CP0405223
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| Compound Name |
4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy-propoxy}-phenol
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| Structure |
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| Formula |
C17H22N2O3
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| Molecular Weight |
302.374
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| Canonical SMILES |
Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1
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| InChIKey |
HHANRCOSJKTYRJ-INIZCTEOSA-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