General Information of the Compound
| Compound ID |
CP0378760
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| Compound Name |
(+/-)-2-(cis-5-(4-(5-(4-((S)-3,3-difluorocyclopentyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-yl)acetic acid
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| Structure |
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| Formula |
C25H25F2N3O3
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| Molecular Weight |
453.489
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| Canonical SMILES |
OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@H]1CCC(F)(F)C1
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| InChI |
InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,20-,21+/m0/s1
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| InChIKey |
YARHFBRDYSZBIN-PCCBWWKXSA-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