General Information of the Compound
| Compound ID |
CP0544558
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| Compound Name |
N-[2-[3-[[2-methoxy-5-[3-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C37H37N5O5S
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| Molecular Weight |
663.8
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)Cc1cccnc1
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| InChI |
InChI=1S/C37H37N5O5S/c1-26-8-4-11-30(20-26)36(43)40-19-18-39-32-13-6-14-33(23-32)41-48(45,46)35-22-29(15-16-34(35)47-3)28-10-5-12-31(21-28)37(44)42(2)25-27-9-7-17-38-24-27/h4-17,20-24,39,41H,18-19,25H2,1-3H3,(H,40,43)
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| InChIKey |
RCIRUDLVTXPQQZ-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