General Information of the Compound
| Compound ID |
CP0391846
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| Compound Name |
1,2,4-oxadiazole based compound, 37
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| Structure |
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| Formula |
C24H23F2N3O3
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| Molecular Weight |
439.462
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1
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| InChI |
InChI=1S/C24H23F2N3O3/c25-24(26)10-9-19(11-24)16-5-7-18(8-6-16)22-27-21(28-32-22)17-3-1-15(2-4-17)12-29-13-20(14-29)23(30)31/h1-8,19-20H,9-14H2,(H,30,31)/t19-/m1/s1
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| InChIKey |
QIPIWIXFCSCVEI-LJQANCHMSA-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
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5