General Information of the Compound
| Compound ID |
CP0549896
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| Compound Name |
N-[2-[3-[[5-[3-[benzyl(methyl)carbamoyl]phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C38H38N4O5S
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| Molecular Weight |
662.812
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C38H38N4O5S/c1-27-10-7-14-31(22-27)37(43)40-21-20-39-33-16-9-17-34(25-33)41-48(45,46)36-24-30(18-19-35(36)47-3)29-13-8-15-32(23-29)38(44)42(2)26-28-11-5-4-6-12-28/h4-19,22-25,39,41H,20-21,26H2,1-3H3,(H,40,43)
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| InChIKey |
LCCDICCIIOWTER-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