General Information of the Compound
| Compound ID |
CP0441771
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| Compound Name |
(+/-)-trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@H](N1)C(O)=O
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| InChI |
InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20-/m0/s1
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| InChIKey |
XXVGJGHFHPWZAV-PMACEKPBSA-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