General Information of the Compound
| Compound ID |
CP0403324
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| Compound Name |
7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine
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| Structure |
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| Formula |
C29H33ClN6
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| Molecular Weight |
501.078
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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| InChIKey |
GYWHDZIJHYATFG-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