General Information of the Compound
| Compound ID |
CP0412946
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| Compound Name |
5-hydroxy-8-[4-(4-pyrazolo[1,5-a]pyridin-5-yloxybutyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C23H27N5O4
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| Molecular Weight |
437.5
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| Canonical SMILES |
Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12
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| InChI |
InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)
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| InChIKey |
NQUFJLNBHRSFTR-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