General Information of the Compound
| Compound ID |
CP0475694
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| Compound Name |
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-ethylamino]-ethanol
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
OC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H19ClN2O/c19-15-5-3-4-13(10-15)18(22)12-20-9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,18,20-22H,8-9,12H2
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| InChIKey |
DATMWMOSAVTPED-UHFFFAOYSA-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