General Information of the Compound
| Compound ID |
CP0158026
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| Compound Name |
1-butyl-4-(2-chloro-3-ethylphenyl)piperazine
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| Structure |
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| Formula |
C16H25ClN2
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| Molecular Weight |
280.843
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| Canonical SMILES |
CCCCN1CCN(CC1)c1cccc(CC)c1Cl
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| InChI |
InChI=1S/C16H25ClN2/c1-3-5-9-18-10-12-19(13-11-18)15-8-6-7-14(4-2)16(15)17/h6-8H,3-5,9-13H2,1-2H3
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| InChIKey |
YTGXGXKZORFSRT-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