General Information of the Compound
| Compound ID |
CP0291861
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| Compound Name |
4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]sulfanyl-1-benzothiophene-2-carboxylic acid
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| Structure |
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| Formula |
C28H21Cl2NO4S2
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| Molecular Weight |
570.519
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(Sc2cccc3sc(cc23)C(O)=O)cc1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H21Cl2NO4S2/c1-15(2)27-19(26(31-35-27)25-20(29)5-3-6-21(25)30)14-34-16-9-11-17(12-10-16)36-22-7-4-8-23-18(22)13-24(37-23)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
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| InChIKey |
VZCDJGUSVCYHHR-UHFFFAOYSA-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