General Information of the Compound
| Compound ID |
CP0444791
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| Compound Name |
4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H25Cl2FN2O4
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| Molecular Weight |
519.4
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C26H25Cl2FN2O4/c27-20-2-1-3-21(28)22(20)23-19(24(35-30-23)16-4-5-16)14-34-15-26(29)10-12-31(13-11-26)18-8-6-17(7-9-18)25(32)33/h1-3,6-9,16H,4-5,10-15H2,(H,32,33)
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| InChIKey |
KHTFBPCMYIQNHE-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