General Information of the Compound
| Compound ID |
CP0518305
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| Compound Name |
(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxymethyl)-phosphonic acid monoisopropyl ester
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| Structure |
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| Formula |
C21H29ClNO5P
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| Molecular Weight |
441.892
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| Canonical SMILES |
CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C21H29ClNO5P/c1-15(2)28-29(25,26)14-27-20-9-7-17(8-10-20)11-16(3)23-13-21(24)18-5-4-6-19(22)12-18/h4-10,12,15-16,21,23-24H,11,13-14H2,1-3H3,(H,25,26)/t16-,21+/m1/s1
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| InChIKey |
SXCAXFFQCFPMNM-IERDGZPVSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor