General Information of the Compound
| Compound ID |
CP0430826
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| Compound Name |
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
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| Structure |
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| Formula |
C20H23N3S
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| Molecular Weight |
337.492
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| Canonical SMILES |
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
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| InChI |
InChI=1S/C20H23N3S/c1-2-5-16(6-3-1)8-11-23-12-9-17(10-13-23)18-15-19(22-21-18)20-7-4-14-24-20/h1-7,14-15,17H,8-13H2,(H,21,22)
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| InChIKey |
RQRBGNHBNQYSEI-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