General Information of the Compound
| Compound ID |
CP0549999
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| Compound Name |
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
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| Structure |
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| Formula |
C19H19ClN2O3
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| Molecular Weight |
358.825
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| Canonical SMILES |
COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C19H19ClN2O3/c1-22-11-12(13-6-4-5-7-16(13)22)8-19(23)21-15-9-14(20)17(24-2)10-18(15)25-3/h4-7,9-11H,8H2,1-3H3,(H,21,23)
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| InChIKey |
MLQWIWGLWAXAFA-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2