General Information of the Compound
| Compound ID |
CP0334056
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| Compound Name |
(S)-2-(3-((3-(4-chlorophenoxy)-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)methyl)-4-fluorophenoxy)propanoic acid
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| Structure |
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| Formula |
C24H20ClFN2O4
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| Molecular Weight |
454.885
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| Canonical SMILES |
C[C@H](Oc1ccc(F)c(Cn2c(C)c(Oc3ccc(Cl)cc3)c3cccnc23)c1)C(O)=O
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| InChI |
InChI=1S/C24H20ClFN2O4/c1-14-22(32-18-7-5-17(25)6-8-18)20-4-3-11-27-23(20)28(14)13-16-12-19(9-10-21(16)26)31-15(2)24(29)30/h3-12,15H,13H2,1-2H3,(H,29,30)/t15-/m0/s1
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| InChIKey |
GQNSETYZJHTWKU-HNNXBMFYSA-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