General Information of the Compound
| Compound ID |
CP0420055
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| Compound Name |
1-[[4-[5-(4,5-diphenyl-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 |
C28H22N4O4
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| Molecular Weight |
478.508
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2-c2ccccc2)-c2ccccc2)C1
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| InChI |
InChI=1S/C28H22N4O4/c33-28(34)22-16-32(17-22)15-18-11-13-21(14-12-18)26-29-27(36-31-26)24-23(19-7-3-1-4-8-19)25(35-30-24)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,33,34)
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| InChIKey |
HZHVXSADFVTJOJ-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