General Information of the Compound
| Compound ID |
CP0448560
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| Compound Name |
1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C21H22F3NO
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| Molecular Weight |
361.407
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| Canonical SMILES |
Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1
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| InChI |
InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2
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| InChIKey |
PCWXMSHXEKJUAY-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor