General Information of the Compound
| Compound ID |
CP0398948
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| Compound Name |
2-(N-(2-chloro-5-(1H-pyrrol-1-yl)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
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| Structure |
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| Formula |
C24H28ClN3O5S
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| Molecular Weight |
506.024
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| Canonical SMILES |
CCN(CC)C(=O)CN(c1cc(ccc1Cl)-n1cccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C24H28ClN3O5S/c1-5-26(6-2)24(29)17-28(21-15-18(9-11-20(21)25)27-13-7-8-14-27)34(30,31)19-10-12-22(32-3)23(16-19)33-4/h7-16H,5-6,17H2,1-4H3
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| InChIKey |
BYDRJTSSNUDNDM-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