General Information of the Compound
| Compound ID |
CP0339299
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C33H24Cl2FN3O4
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| Molecular Weight |
616.476
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1-c1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C33H24Cl2FN3O4/c1-18(2)31-24(30(38-43-31)29-25(34)4-3-5-26(29)35)17-42-23-13-6-19(7-14-23)32-37-27-15-8-20(33(40)41)16-28(27)39(32)22-11-9-21(36)10-12-22/h3-16,18H,17H2,1-2H3,(H,40,41)
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| InChIKey |
PJEYODCOZHPPSB-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