General Information of the Compound
| Compound ID |
CP0385732
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| Compound Name |
3-[4-methoxy-3-[[3-[2-[(3-methoxybenzoyl)amino]ethylamino]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C32H34N4O6S
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| Molecular Weight |
602.713
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| Canonical SMILES |
COc1cccc(c1)C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1
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| InChI |
InChI=1S/C32H34N4O6S/c1-36(2)32(38)25-10-5-8-22(18-25)23-14-15-29(42-4)30(20-23)43(39,40)35-27-12-7-11-26(21-27)33-16-17-34-31(37)24-9-6-13-28(19-24)41-3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)
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| InChIKey |
AINDCHPKOIXBSO-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