General Information of the Compound
| Compound ID |
CP0374671
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| Compound Name |
1'-(1,2,3,4-tetrahydro-2-naphthalenyl)spiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-6-yl fluoride
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| Structure |
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| Formula |
C23H26FNO
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| Molecular Weight |
351.465
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| Canonical SMILES |
Fc1ccc2OC3(CCN(CC3)C3CCc4ccccc4C3)CCc2c1
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| InChI |
InChI=1S/C23H26FNO/c24-20-6-8-22-19(15-20)9-10-23(26-22)11-13-25(14-12-23)21-7-5-17-3-1-2-4-18(17)16-21/h1-4,6,8,15,21H,5,7,9-14,16H2
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| InChIKey |
QFHXIJAGZCPYPV-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: PT01005, D(2) dopamine receptor