General Information of the Compound
| Compound ID |
CP0377586
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| Compound Name |
(3S)-3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
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| Structure |
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| Formula |
C28H28N2O3
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| Molecular Weight |
440.543
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1
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| InChI |
InChI=1S/C28H28N2O3/c1-19-6-4-7-20(2)27(19)23-9-5-8-21(16-23)18-33-24-12-10-22(11-13-24)25(17-26(31)32)28-29-14-15-30(28)3/h4-16,25H,17-18H2,1-3H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
VOEOTYQOLLWLNZ-VWLOTQADSA-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