General Information of the Compound
| Compound ID |
CP0063768
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| Compound Name |
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1-isopropyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C20H28FN3O2
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| Molecular Weight |
361.461
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| Canonical SMILES |
CC(C)N1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C20H28FN3O2/c1-15(2)24-14-22-19(26)20(24)9-12-23(13-10-20)11-3-4-18(25)16-5-7-17(21)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26)
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| InChIKey |
YCKVVNHIAYNYHI-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