General Information of the Compound
| Compound ID |
CP0403928
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| Compound Name |
8-[5-(5-chloro-2,4-dimethoxyphenyl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C20H26ClN3O5
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| Molecular Weight |
423.897
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| Canonical SMILES |
COc1cc(OC)c(cc1Cl)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
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| InChI |
InChI=1S/C20H26ClN3O5/c1-28-16-12-17(29-2)14(21)11-13(16)15(25)5-3-4-8-24-9-6-20(7-10-24)18(26)22-19(27)23-20/h11-12H,3-10H2,1-2H3,(H2,22,23,26,27)
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| InChIKey |
WYMURAMTXAUWGF-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: PT01480, 5-hydroxytryptamine receptor 2C