General Information of the Compound
| Compound ID |
CP0436910
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| Compound Name |
5-[4-[4-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
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| Structure |
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| Formula |
C24H27N5O5
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| Molecular Weight |
465.51
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| Canonical SMILES |
Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2OCC(=O)Nc12
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| InChI |
InChI=1S/C24H27N5O5/c30-15-17-14-25-29-7-5-18(13-20(17)29)33-12-2-1-6-27-8-10-28(11-9-27)19-3-4-21(31)23-24(19)34-16-22(32)26-23/h3-5,7,13-15,31H,1-2,6,8-12,16H2,(H,26,32)
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| InChIKey |
QUUFDJZHDLIECK-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor