General Information of the Compound
| Compound ID |
CP0680890
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| Compound Name |
{2-[4-(2-Chloro-1,2-diphenyl-vinyl)-phenoxy]-ethyl}-diethyl-amine
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| Structure |
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| Formula |
C26H28ClNO
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| Molecular Weight |
405.969
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| Canonical SMILES |
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
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| InChIKey |
GKIRPKYJQBWNGO-UHFFFAOYSA-N
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| CAS |
911-45-5
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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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic