General Information of the Compound
| Compound ID |
CP0502718
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| Compound Name |
N-[4-[[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]sulfamoyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H35N5O8S
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| Molecular Weight |
601.682
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| Canonical SMILES |
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
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| InChI |
InChI=1S/C28H35N5O8S/c1-18(34)29-19-7-9-20(10-8-19)42(38,39)32-22-16-21(24(40-2)17-25(22)41-3)23(35)6-4-5-13-33-14-11-28(12-15-33)26(36)30-27(37)31-28/h7-10,16-17,32H,4-6,11-15H2,1-3H3,(H,29,34)(H2,30,31,36,37)
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| InChIKey |
XQYGHSTWFDBREK-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C