General Information of the Compound
| Compound ID |
CP0163605
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-ethylbenzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C29H25Cl2N3O4
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| Molecular Weight |
550.442
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| Canonical SMILES |
CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1
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| InChI |
InChI=1S/C29H25Cl2N3O4/c1-4-34-24-14-18(29(35)36)10-13-23(24)32-28(34)17-8-11-19(12-9-17)37-15-20-26(33-38-27(20)16(2)3)25-21(30)6-5-7-22(25)31/h5-14,16H,4,15H2,1-3H3,(H,35,36)
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| InChIKey |
XFJVUXKTGVFBSJ-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