General Information of the Compound
| Compound ID |
CP0470276
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| Compound Name |
3-(2-Ethyl-4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C19H23NO
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| Molecular Weight |
281.399
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| Canonical SMILES |
CCc1cc(OC)ccc1C1Cc2ccccc2CN1C
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| InChI |
InChI=1S/C19H23NO/c1-4-14-11-17(21-3)9-10-18(14)19-12-15-7-5-6-8-16(15)13-20(19)2/h5-11,19H,4,12-13H2,1-3H3
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| InChIKey |
KTAAQEHLGMUIRW-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor