General Information of the Compound
| Compound ID |
CP0380592
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| Compound Name |
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-7-ethynyl-2-methyl-pyrazolo[1,5-a]pyridine
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| Structure |
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| Formula |
C21H21ClN4
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| Molecular Weight |
364.88
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| Canonical SMILES |
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#C
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| InChI |
InChI=1S/C21H21ClN4/c1-3-18-5-4-6-21-20(16(2)23-26(18)21)15-24-11-13-25(14-12-24)19-9-7-17(22)8-10-19/h1,4-10H,11-15H2,2H3
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| InChIKey |
RZAVUFOOSFLHIY-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: PT01358, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor