General Information of the Compound
| Compound ID |
CP0433876
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| Compound Name |
(3S)-3-amino-3-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C26H22F3N3O3
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| Molecular Weight |
481.474
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| Canonical SMILES |
N[C@@H](CC(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F3N3O3/c27-26(28,29)20-12-19(22-14-31-25(32-22)21(30)13-24(33)34)10-11-23(20)35-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-12,14,21H,13,15,30H2,(H,31,32)(H,33,34)/t21-/m0/s1
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| InChIKey |
IYBAVFGDFPBGFB-NRFANRHFSA-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