General Information of the Compound
| Compound ID |
CP0407988
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| Compound Name |
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1
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| InChI |
InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+
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| InChIKey |
WUKHFCSRRUQMMT-HKOYGPOVSA-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