General Information of the Compound
| Compound ID |
CP0404364
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| Compound Name |
4-cyano-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H31N5O7S
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| Molecular Weight |
569.64
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| Canonical SMILES |
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C#N)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
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| InChI |
InChI=1S/C27H31N5O7S/c1-38-23-16-24(39-2)21(31-40(36,37)19-8-6-18(17-28)7-9-19)15-20(23)22(33)5-3-4-12-32-13-10-27(11-14-32)25(34)29-26(35)30-27/h6-9,15-16,31H,3-5,10-14H2,1-2H3,(H2,29,30,34,35)
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| InChIKey |
GYCHMCNDCKTYHI-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