General Information of the Compound
| Compound ID |
CP0494561
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| Compound Name |
US8975409, Comparative compound B
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| Synonyms |
BDBM149711
CHEMBL3401375
SCHEMBL5912478
US8975409, Comparative compound B
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| Structure |
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| Formula |
C24H31FN2O3
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| Molecular Weight |
414.521
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| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cccc(Oc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C24H31FN2O3/c1-3-18(4-2)17-24(29)12-14-27(15-13-24)23(28)26-20-6-5-7-22(16-20)30-21-10-8-19(25)9-11-21/h5-11,16,18,29H,3-4,12-15,17H2,1-2H3,(H,26,28)
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| InChIKey |
QDTNDGDKXXSUJU-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: PT06107, Sphingosine 1-phosphate receptor 2
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Clinical Information about the Compound