General Information of the Compound
| Compound ID |
CP0113075
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| Compound Name |
3-Butyl-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 |
C22H32FN3O2
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| Molecular Weight |
389.515
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| Canonical SMILES |
CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
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| InChI |
InChI=1S/C22H32FN3O2/c1-3-4-14-26-17-24(2)22(21(26)28)11-15-25(16-12-22)13-5-6-20(27)18-7-9-19(23)10-8-18/h7-10H,3-6,11-17H2,1-2H3
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| InChIKey |
VQOFRAUEWAFOEI-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