General Information of the Compound
| Compound ID |
CP0197643
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| Compound Name |
5-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C28H22Cl3N3O5
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| Molecular Weight |
586.859
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| Canonical SMILES |
OC(=O)c1cncc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C28H22Cl3N3O5/c29-21-2-1-3-22(30)24(21)25-19(26(39-33-25)15-4-5-15)12-38-18-6-7-20(23(31)9-18)28(37)13-34(14-28)17-8-16(27(35)36)10-32-11-17/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
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| InChIKey |
RECGOOIVMAFZGM-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