General Information of the Compound
| Compound ID |
CP0451232
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| Compound Name |
3-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-thiazol-5-yl)-propionic acid
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| Structure |
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| Formula |
C17H21ClN2O3S
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| Molecular Weight |
368.886
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| Canonical SMILES |
C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C17H21ClN2O3S/c1-11(7-16-20-9-14(24-16)5-6-17(22)23)19-10-15(21)12-3-2-4-13(18)8-12/h2-4,8-9,11,15,19,21H,5-7,10H2,1H3,(H,22,23)/t11-,15?/m1/s1
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| InChIKey |
PBKVLEACLGKCJH-ZRKZCGFPSA-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