General Information of the Compound
| Compound ID |
CP0579352
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| Compound Name |
2-[4-chloro-2-(1,1-difluoroethyl)phenyl]-3-[4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenoxy]-1-benzothiophene-6-carboxylic acid
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| Structure |
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| Formula |
C29H26ClF3N2O3S
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| Molecular Weight |
575.052
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| Canonical SMILES |
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(NC2CN(CCCF)C2)cc1)C(O)=O
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| InChI |
InChI=1S/C29H26ClF3N2O3S/c1-29(32,33)24-14-18(30)4-10-22(24)27-26(23-9-3-17(28(36)37)13-25(23)39-27)38-21-7-5-19(6-8-21)34-20-15-35(16-20)12-2-11-31/h3-10,13-14,20,34H,2,11-12,15-16H2,1H3,(H,36,37)
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| InChIKey |
QMDWBBDTVHAQDU-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