General Information of the Compound
| Compound ID |
CP0568564
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| Compound Name |
3-[4-methoxy-3-[[8-[(3-methoxybenzoyl)-methylamino]-7-methylnaphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C36H35N3O6S
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| Molecular Weight |
637.758
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| Canonical SMILES |
COc1cccc(c1)C(=O)N(C)c1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12
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| InChI |
InChI=1S/C36H35N3O6S/c1-23-13-14-24-15-17-29(22-31(24)34(23)39(4)36(41)28-11-8-12-30(20-28)44-5)37-46(42,43)33-21-26(16-18-32(33)45-6)25-9-7-10-27(19-25)35(40)38(2)3/h7-22,37H,1-6H3
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| InChIKey |
MWYZJAXNKVNHOZ-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