General Information of the Compound
| Compound ID |
CP0429751
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| Compound Name |
(3S)-3-(1-methylimidazol-2-yl)-3-[4-[[3-[2-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H23F3N2O4
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| Molecular Weight |
496.485
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| Canonical SMILES |
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2OC(F)(F)F)cc1
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| InChI |
InChI=1S/C27H23F3N2O4/c1-32-14-13-31-26(32)23(16-25(33)34)19-9-11-21(12-10-19)35-17-18-5-4-6-20(15-18)22-7-2-3-8-24(22)36-27(28,29)30/h2-15,23H,16-17H2,1H3,(H,33,34)/t23-/m0/s1
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| InChIKey |
SGIVCFGGHCHGHN-QHCPKHFHSA-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