General Information of the Compound
| Compound ID |
CP0294038
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| Compound Name |
N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C24H28FN3O2S
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| Molecular Weight |
441.572
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C24H28FN3O2S/c1-30-21-8-4-3-7-20(21)28-14-12-27(13-15-28)17-19(25)10-11-26-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19H,10-15,17H2,1H3,(H,26,29)
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| InChIKey |
DSOWHOSHPUSGFM-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