General Information of the Compound
| Compound ID |
CP0450698
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| Compound Name |
1-[[1-methyl-4-oxo-3-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]quinolin-7-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H24F3N3O4
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| Molecular Weight |
535.522
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CN3CC(C3)C(O)=O)cc12
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| InChI |
InChI=1S/C29H24F3N3O4/c1-34-16-23(26(36)22-9-7-17(11-25(22)34)13-35-14-19(15-35)28(38)39)27(37)33-20-8-10-21(18-5-3-2-4-6-18)24(12-20)29(30,31)32/h2-12,16,19H,13-15H2,1H3,(H,33,37)(H,38,39)
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| InChIKey |
BIORJDGRVOKKJM-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