General Information of the Compound
| Compound ID |
CP0389742
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| Compound Name |
3-[butyl-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C31H29Cl3N2O5
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| Molecular Weight |
615.941
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| Canonical SMILES |
CCCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C31H29Cl3N2O5/c1-4-5-14-36(20-9-6-8-19(15-20)31(38)39)30(37)22-13-12-21(16-26(22)34)40-17-23-28(35-41-29(23)18(2)3)27-24(32)10-7-11-25(27)33/h6-13,15-16,18H,4-5,14,17H2,1-3H3,(H,38,39)
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| InChIKey |
RJMSQJXUFVTOKU-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