General Information of the Compound
| Compound ID |
CP0427016
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| Compound Name |
(+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C21H21N3
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| Molecular Weight |
315.42
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| Canonical SMILES |
CN1CCc2ccccc2C1CCc1c[nH]c2ccc(cc12)C#N
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| InChI |
InChI=1S/C21H21N3/c1-24-11-10-16-4-2-3-5-18(16)21(24)9-7-17-14-23-20-8-6-15(13-22)12-19(17)20/h2-6,8,12,14,21,23H,7,9-11H2,1H3
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| InChIKey |
PQVFTFGHDAAJKQ-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter