General Information of the Compound
| Compound ID |
CP0529838
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| Compound Name |
(R)-1-(3-Chloro-phenyl)-2-[2-(7-ethoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
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| Structure |
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| Formula |
C21H25ClN2O2
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| Molecular Weight |
372.896
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| Canonical SMILES |
CCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
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| InChI |
InChI=1S/C21H25ClN2O2/c1-3-26-20-9-5-8-18-16(12-24-21(18)20)10-14(2)23-13-19(25)15-6-4-7-17(22)11-15/h4-9,11-12,14,19,23-25H,3,10,13H2,1-2H3/t14?,19-/m0/s1
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| InChIKey |
JIQLFJFMURQOMY-PKDNWHCCSA-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