General Information of the Compound
| Compound ID |
CP0405812
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| Compound Name |
N-[3-[(Z)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(\C=N/O)c3c2)CC1
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| InChI |
InChI=1S/C23H28N6O3/c1-32-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24-29)17-25-31/h2-3,5-6,8,10,15-17,31H,4,7,9,11-14H2,1H3,(H,26,30)/b25-17-
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| InChIKey |
IBCJUIIXFRJMOE-UQQQWYQISA-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