General Information of the Compound
| Compound ID |
CP0380815
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| Compound Name |
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
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| Structure |
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| Formula |
C22H24Cl2N4O2
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| Molecular Weight |
447.366
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCOc3cccc4c(C=O)cnn34)CC2)c1Cl
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| InChI |
InChI=1S/C22H24Cl2N4O2/c23-18-5-3-7-20(22(18)24)27-12-10-26(11-13-27)9-1-2-14-30-21-8-4-6-19-17(16-29)15-25-28(19)21/h3-8,15-16H,1-2,9-14H2
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| InChIKey |
ZHLBCCKGUNFWNS-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