General Information of the Compound
| Compound ID |
CP0405814
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| Compound Name |
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
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| Structure |
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| Formula |
C21H23Cl2N5O
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| Molecular Weight |
432.355
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4nccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C21H23Cl2N5O/c22-18-3-1-4-19(21(18)23)27-13-11-26(12-14-27)9-2-5-20(29)25-16-7-10-28-17(15-16)6-8-24-28/h1,3-4,6-8,10,15H,2,5,9,11-14H2,(H,25,29)
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| InChIKey |
PELJKMLXUPTOKG-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, 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