General Information of the Compound
| Compound ID |
CP0473168
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| Compound Name |
6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-7-fluoroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C29H21Cl2FN2O4
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| Molecular Weight |
551.401
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1cc2ccc(nc2cc1F)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H21Cl2FN2O4/c1-15(2)28-20(27(34-38-28)26-21(30)4-3-5-22(26)31)14-37-18-9-6-16(7-10-18)19-12-17-8-11-24(29(35)36)33-25(17)13-23(19)32/h3-13,15H,14H2,1-2H3,(H,35,36)
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| InChIKey |
RSPVGFVKVVHGQD-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