General Information of the Compound
| Compound ID |
CP0385733
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| Compound Name |
2-chloro-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C31H31ClN4O5S
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| Molecular Weight |
607.132
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2Cl)c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C31H31ClN4O5S/c1-36(2)31(38)23-9-6-8-21(18-23)22-14-15-28(41-3)29(19-22)42(39,40)35-25-11-7-10-24(20-25)33-16-17-34-30(37)26-12-4-5-13-27(26)32/h4-15,18-20,33,35H,16-17H2,1-3H3,(H,34,37)
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| InChIKey |
ICZLKTQSCUPWPB-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