General Information of the Compound
| Compound ID |
CP0573471
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| Compound Name |
N-[2-[3-[[5-[3-(dimethylamino)-3-oxopropyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C28H34N4O5S
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| Molecular Weight |
538.67
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| Canonical SMILES |
COc1ccc(CCC(=O)N(C)C)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1
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| InChI |
InChI=1S/C28H34N4O5S/c1-20-7-5-8-22(17-20)28(34)30-16-15-29-23-9-6-10-24(19-23)31-38(35,36)26-18-21(11-13-25(26)37-4)12-14-27(33)32(2)3/h5-11,13,17-19,29,31H,12,14-16H2,1-4H3,(H,30,34)
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| InChIKey |
DMGMYSSCXFMXSI-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1