General Information of the Compound
| Compound ID |
CP0404174
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| Compound Name |
3-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1cccnc1
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| InChI |
InChI=1S/C21H24N4/c1-2-5-17(6-3-1)8-12-25-13-9-18(10-14-25)20-15-21(24-23-20)19-7-4-11-22-16-19/h1-7,11,15-16,18H,8-10,12-14H2,(H,23,24)
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| InChIKey |
XTZZQQZBOKCCIX-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