General Information of the Compound
| Compound ID |
CP0497077
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| Compound Name |
methyl N-[[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-N-(4-methoxyphenyl)carbamate
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| Structure |
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| Formula |
C26H36N2O3
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| Molecular Weight |
424.585
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(CN(C(=O)OC)c3ccc(OC)cc3)ccc2C1
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| InChI |
InChI=1S/C26H36N2O3/c1-5-15-27(16-6-2)24-10-9-21-17-20(7-8-22(21)18-24)19-28(26(29)31-4)23-11-13-25(30-3)14-12-23/h7-8,11-14,17,24H,5-6,9-10,15-16,18-19H2,1-4H3
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| InChIKey |
PNTBTATXSREBKG-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor