General Information of the Compound
| Compound ID |
CP0577521
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| Compound Name |
N-[2-[3-[[2-methoxy-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C36H35N5O5S
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| Molecular Weight |
649.773
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)NCc1ccccn1
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| InChI |
InChI=1S/C36H35N5O5S/c1-25-8-5-10-28(20-25)35(42)39-19-18-38-30-13-7-14-31(23-30)41-47(44,45)34-22-27(15-16-33(34)46-2)26-9-6-11-29(21-26)36(43)40-24-32-12-3-4-17-37-32/h3-17,20-23,38,41H,18-19,24H2,1-2H3,(H,39,42)(H,40,43)
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| InChIKey |
XLYRZJRWGZKMSC-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