General Information of the Compound
| Compound ID |
CP0251094
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| Compound Name |
2-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C22H20FN3O3
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| Molecular Weight |
393.418
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| Canonical SMILES |
Cc1noc(C)c1Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C22H20FN3O3/c1-12-4-6-18-16(10-21(27)28)11-26(22(18)24-12)20-7-5-17(23)8-15(20)9-19-13(2)25-29-14(19)3/h4-8,11H,9-10H2,1-3H3,(H,27,28)
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| InChIKey |
HVSDALILRLCKRH-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