General Information of the Compound
| Compound ID |
CP0064484
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1H-benzimidazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H21Cl2N3O4
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| Molecular Weight |
522.388
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H21Cl2N3O4/c1-14(2)25-18(24(32-36-25)22-19(28)6-4-7-20(22)29)13-35-16-11-9-15(10-12-16)26-30-21-8-3-5-17(27(33)34)23(21)31-26/h3-12,14H,13H2,1-2H3,(H,30,31)(H,33,34)
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| InChIKey |
SCHHRIACRUJXBG-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