General Information of the Compound
| Compound ID |
CP0206815
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| Compound Name |
2-[4-[[3-(4-chlorophenyl)-2-methylphenyl]-(cyclopropylmethyl)sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C28H30ClNO5S
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| Molecular Weight |
528.07
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| Canonical SMILES |
CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CC1CC1)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C28H30ClNO5S/c1-17-18(2)27(15-14-26(17)35-20(4)28(31)32)36(33,34)30(16-21-8-9-21)25-7-5-6-24(19(25)3)22-10-12-23(29)13-11-22/h5-7,10-15,20-21H,8-9,16H2,1-4H3,(H,31,32)
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| InChIKey |
VDIFWBVDRSCNII-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