General Information of the Compound
| Compound ID |
CP0548118
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| Compound Name |
3-[3-[(8-benzamidonaphthalen-2-yl)sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C33H29N3O5S
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| Molecular Weight |
579.678
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(NC(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C33H29N3O5S/c1-36(2)33(38)26-13-7-12-24(19-26)25-16-18-30(41-3)31(20-25)42(39,40)35-27-17-15-22-11-8-14-29(28(22)21-27)34-32(37)23-9-5-4-6-10-23/h4-21,35H,1-3H3,(H,34,37)
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| InChIKey |
QIQCFGKZXZPCTC-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