General Information of the Compound
| Compound ID |
CP0339892
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-(2-methylpropyl)benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C31H29Cl2N3O4
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| Molecular Weight |
578.496
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| Canonical SMILES |
CC(C)Cn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1
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| InChI |
InChI=1S/C31H29Cl2N3O4/c1-17(2)15-36-26-14-20(31(37)38)10-13-25(26)34-30(36)19-8-11-21(12-9-19)39-16-22-28(35-40-29(22)18(3)4)27-23(32)6-5-7-24(27)33/h5-14,17-18H,15-16H2,1-4H3,(H,37,38)
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| InChIKey |
CLNPVCGPOPKFIF-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