General Information of the Compound
| Compound ID |
CP0418145
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| Compound Name |
2-[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(CCCCOc3nn4ccccc4c3C=O)CC2)c1Cl
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| InChI |
InChI=1S/C22H24Cl2N4O2/c23-18-6-5-8-20(21(18)24)27-13-11-26(12-14-27)9-3-4-15-30-22-17(16-29)19-7-1-2-10-28(19)25-22/h1-2,5-8,10,16H,3-4,9,11-15H2
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| InChIKey |
NCIZVSJVBWAJQR-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