General Information of the Compound
| Compound ID |
CP0374269
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| Compound Name |
4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}-benzonitrile
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| Structure |
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| Formula |
C20H21N3
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| Molecular Weight |
303.409
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| Canonical SMILES |
CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
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| InChIKey |
PNXAJQBRLDGPQZ-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor