General Information of the Compound
Compound ID |
CP0392231
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Compound Name |
3-Ethyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-methyl-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 |
CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
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InChI |
InChI=1S/C20H28FN3O2/c1-3-24-15-22(2)20(19(24)26)10-13-23(14-11-20)12-4-5-18(25)16-6-8-17(21)9-7-16/h6-9H,3-5,10-15H2,1-2H3
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InChIKey |
WJBBMYMKZHOFID-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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