General Information of the Compound
| Compound ID |
CP0487032
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| Compound Name |
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
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| Structure |
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| Formula |
C22H31N3
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| Molecular Weight |
337.511
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| Canonical SMILES |
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)C1CCCCC1
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| InChI |
InChI=1S/C22H31N3/c1-3-7-18(8-4-1)11-14-25-15-12-20(13-16-25)22-17-21(23-24-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19-20H,2,5-6,9-16H2,(H,23,24)
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| InChIKey |
XNFZPEDEZVYDIU-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