General Information of the Compound
| Compound ID |
CP0437512
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| Compound Name |
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1,1-dimethyl-ethylamino]-ethanol
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| Structure |
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H23ClN2O/c1-20(2,11-15-12-22-18-9-4-3-8-17(15)18)23-13-19(24)14-6-5-7-16(21)10-14/h3-10,12,19,22-24H,11,13H2,1-2H3
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| InChIKey |
YLOWXWHAWCOZBC-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