General Information of the Compound
| Compound ID |
CP0376926
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| Compound Name |
1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-1-yl]-1-butanone
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| Structure |
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| Formula |
C24H28FNO3
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| Molecular Weight |
397.49
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| Canonical SMILES |
COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
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| InChI |
InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
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| InChIKey |
FPWBHZULGMGZGF-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor