General Information of the Compound
| Compound ID |
CP0508408
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| Compound Name |
3-[[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-naphthalen-1-ylcarbamoyl]benzoic acid
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| Structure |
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| Formula |
C37H27Cl3N2O5
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| Molecular Weight |
685.991
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C(=O)c2cccc(c2)C(O)=O)c2cccc3ccccc23)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C37H27Cl3N2O5/c1-21(2)35-27(34(41-47-35)33-28(38)13-7-14-29(33)39)20-46-25-16-17-32(30(40)19-25)42(31-15-6-9-22-8-3-4-12-26(22)31)36(43)23-10-5-11-24(18-23)37(44)45/h3-19,21H,20H2,1-2H3,(H,44,45)
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| InChIKey |
YHJQGIYFXMMQMI-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