General Information of the Compound
| Compound ID |
CP0473501
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| Compound Name |
1-(2,5-Dimethylphenyl)-4-[4-(2,5-dimethylphenyl)-4-hydroxypiperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C25H33NO2
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| Molecular Weight |
379.544
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| Canonical SMILES |
Cc1ccc(C)c(c1)C(=O)CCCN1CCC(O)(CC1)c1cc(C)ccc1C
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| InChI |
InChI=1S/C25H33NO2/c1-18-7-9-20(3)22(16-18)24(27)6-5-13-26-14-11-25(28,12-15-26)23-17-19(2)8-10-21(23)4/h7-10,16-17,28H,5-6,11-15H2,1-4H3
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| InChIKey |
YHNXVNWEANWEHW-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