General Information of the Compound
| Compound ID |
CP0430583
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| Compound Name |
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C17H22FN3O2
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| Molecular Weight |
319.38
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)NCNC2=O
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| InChI |
InChI=1S/C17H22FN3O2/c18-14-5-3-13(4-6-14)15(22)2-1-9-21-10-7-17(8-11-21)16(23)19-12-20-17/h3-6,20H,1-2,7-12H2,(H,19,23)
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| InChIKey |
UFSMXFRTFHFHRJ-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C