General Information of the Compound
| Compound ID |
CP0551470
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| Compound Name |
N-[2-[3-[[5-[3-(diethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-(dimethylamino)benzamide
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| Structure |
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| Formula |
C35H41N5O5S
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| Molecular Weight |
643.81
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| Canonical SMILES |
CCN(CC)C(=O)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1
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| InChI |
InChI=1S/C35H41N5O5S/c1-6-40(7-2)35(42)27-13-10-12-25(22-27)26-18-19-32(45-5)33(23-26)46(43,44)38-29-15-11-14-28(24-29)36-20-21-37-34(41)30-16-8-9-17-31(30)39(3)4/h8-19,22-24,36,38H,6-7,20-21H2,1-5H3,(H,37,41)
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| InChIKey |
MXBYSOQCWOUEKI-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