General Information of the Compound
| Compound ID |
CP0505352
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| Compound Name |
N-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C25H31N3OS
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| Molecular Weight |
421.61
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| Canonical SMILES |
Cc1ccc(C)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C25H31N3OS/c1-19-9-10-20(2)22(17-19)28-15-13-27(14-16-28)12-6-5-11-26-25(29)24-18-21-7-3-4-8-23(21)30-24/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,26,29)
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| InChIKey |
CEGIBPCCIZOPHK-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
Protein ID: PT01161, D(4) dopamine receptor