General Information of the Compound
| Compound ID |
CP0453469
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| Compound Name |
7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-2-methyl-pyrazolo[1,5-a]pyridine
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| Structure |
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| Formula |
C30H35ClN6
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| Molecular Weight |
515.105
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| Canonical SMILES |
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C30H35ClN6/c1-24-28(23-34-14-18-35(19-15-34)27-12-10-26(31)11-13-27)29-8-5-9-30(37(29)32-24)36-20-16-33(17-21-36)22-25-6-3-2-4-7-25/h2-13H,14-23H2,1H3
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| InChIKey |
OHHKPQVUUXXVGV-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