General Information of the Compound
| Compound ID |
CP0525075
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| Compound Name |
1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)pyridin-2-yl]-1,6-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C21H14F3N5O2
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| Molecular Weight |
425.37
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(n2)C(F)(F)F)c(=O)c2cnccc12
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| InChI |
InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
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| InChIKey |
FRCSGXOZXJZAQP-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