General Information of the Compound
| Compound ID |
CP0886363
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| Compound Name |
(S)-1-(3,4-dimethoxyphenethylamino)-3-(4-(2-ethoxyethoxy)phenoxy)propan-2-ol
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| Structure |
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| Formula |
C23H33NO6
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| Molecular Weight |
419.518
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| Canonical SMILES |
CCOCCOc1ccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)cc1
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| InChI |
InChI=1S/C23H33NO6/c1-4-28-13-14-29-20-6-8-21(9-7-20)30-17-19(25)16-24-12-11-18-5-10-22(26-2)23(15-18)27-3/h5-10,15,19,24-25H,4,11-14,16-17H2,1-3H3/t19-/m0/s1
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| InChIKey |
NLOWRHHPLNNIIQ-IBGZPJMESA-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: PT02505, Beta-1 adrenergic receptor