General Information of the Compound
| Compound ID |
CP0867970
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| Compound Name |
4-[(1R)-2-({6-[(2-{[(4-Chlorophenyl)methyl]oxy}ethyl)oxy]-hexyl}amino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol Acetate Salt
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| Structure |
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| Formula |
C26H38ClNO7
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| Molecular Weight |
512.043
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| Canonical SMILES |
CC(=O)O.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(Cl)cc2)ccc1O
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| InChI |
InChI=1S/C24H34ClNO5.C2H4O2/c25-22-8-5-19(6-9-22)18-31-14-13-30-12-4-2-1-3-11-26-16-24(29)20-7-10-23(28)21(15-20)17-27;1-2(3)4/h5-10,15,24,26-29H,1-4,11-14,16-18H2;1H3,(H,3,4)/t24-;/m0./s1
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| InChIKey |
NIUNJTLCDGOVNB-JIDHJSLPSA-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