General Information of the Compound
| Compound ID |
CP0403091
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| Compound Name |
2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N-ethyl-N-(1-methyl-1H-pyrazol-3-yl)acetamide
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| Structure |
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| Formula |
C24H30ClN5O5S
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| Molecular Weight |
536.054
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| Canonical SMILES |
CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccn(C)n1
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| InChI |
InChI=1S/C24H30ClN5O5S/c1-7-29(23-12-13-28(4)26-23)24(31)16-30(20-14-17(27(2)3)8-10-19(20)25)36(32,33)18-9-11-21(34-5)22(15-18)35-6/h8-15H,7,16H2,1-6H3
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| InChIKey |
RHNCEVPYSOOJRS-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