General Information of the Compound
| Compound ID |
CP0401707
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| Compound Name |
1-[[4-[5-(4-cyclopropyl-5-phenyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H22N4O4
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| Molecular Weight |
442.475
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C2CC2)-c2ccccc2)C1
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| InChI |
InChI=1S/C25H22N4O4/c30-25(31)19-13-29(14-19)12-15-6-8-18(9-7-15)23-26-24(33-28-23)21-20(16-10-11-16)22(32-27-21)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2,(H,30,31)
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| InChIKey |
USQBYAXALATVIP-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