General Information of the Compound
| Compound ID |
CP0431124
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| Compound Name |
N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine
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| Structure |
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| Formula |
C15H25NS
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| Molecular Weight |
251.439
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| Canonical SMILES |
CCCN(CCC)CC1CCc2ccsc2C1
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| InChI |
InChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-14-7-10-17-15(14)11-13/h7,10,13H,3-6,8-9,11-12H2,1-2H3
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| InChIKey |
MUVLUHKHFQKISJ-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