General Information of the Compound
| Compound ID |
CP0549893
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| Compound Name |
N-[1-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]propan-2-yl]-3-methylbenzamide
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| Structure |
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| Formula |
C33H36N4O5S
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| Molecular Weight |
600.741
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCC(C)NC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C33H36N4O5S/c1-22-9-6-11-26(17-22)32(38)35-23(2)21-34-28-13-8-14-29(20-28)36-43(40,41)31-19-25(15-16-30(31)42-5)24-10-7-12-27(18-24)33(39)37(3)4/h6-20,23,34,36H,21H2,1-5H3,(H,35,38)
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| InChIKey |
DGUKYJGWBQBUSU-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