General Information of the Compound
| Compound ID |
CP0545034
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| Compound Name |
3-[3-[[7-[benzoyl(methyl)amino]naphthalen-2-yl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C34H31N3O5S
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| Molecular Weight |
593.705
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1ccc2ccc(cc2c1)N(C)C(=O)c1ccccc1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C34H31N3O5S/c1-36(2)33(38)27-12-8-11-25(19-27)26-15-18-31(42-4)32(22-26)43(40,41)35-29-16-13-23-14-17-30(21-28(23)20-29)37(3)34(39)24-9-6-5-7-10-24/h5-22,35H,1-4H3
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| InChIKey |
RXPUSLPAVKWKNE-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