General Information of the Compound
| Compound ID |
CP0377588
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| Compound Name |
(3S)-3-[4-[[3-(4-chloro-2-methylphenyl)-4-methylphenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
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| Structure |
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| Formula |
C28H27ClN2O3
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| Molecular Weight |
474.988
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| Canonical SMILES |
Cc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)cc1-c1ccc(Cl)cc1C
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| InChI |
InChI=1S/C28H27ClN2O3/c1-18-4-5-20(15-25(18)24-11-8-22(29)14-19(24)2)17-34-23-9-6-21(7-10-23)26(16-27(32)33)28-30-12-13-31(28)3/h4-15,26H,16-17H2,1-3H3,(H,32,33)/t26-/m0/s1
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| InChIKey |
XXVONYBPTQGJKR-SANMLTNESA-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