General Information of the Compound
| Compound ID |
CP0579696
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| Compound Name |
3-[4-methoxy-3-[[8-[(3-methoxybenzoyl)amino]-7-methylnaphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C35H33N3O6S
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| Molecular Weight |
623.731
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12
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| InChI |
InChI=1S/C35H33N3O6S/c1-22-12-13-23-14-16-28(21-30(23)33(22)36-34(39)26-9-7-11-29(19-26)43-4)37-45(41,42)32-20-25(15-17-31(32)44-5)24-8-6-10-27(18-24)35(40)38(2)3/h6-21,37H,1-5H3,(H,36,39)
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| InChIKey |
AIDQVIXFFODAGI-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