General Information of the Compound
| Compound ID |
CP0475593
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| Compound Name |
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C22H15F3N4O2
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| Molecular Weight |
424.382
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12
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| InChI |
InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
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| InChIKey |
UVPXKUCCPFYUHG-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: PT01838, Sphingosine 1-phosphate receptor 3