General Information of the Compound
| Compound ID |
CP0290017
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| Compound Name |
(S)-2-(2-chloro-5-((3-(4-chlorophenoxy)-2-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)methyl)phenoxy)propanoic acid
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| Structure |
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| Formula |
C25H19Cl2F3N2O4
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| Molecular Weight |
539.337
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| Canonical SMILES |
C[C@H](Oc1cc(Cn2c(C)c(Oc3ccc(Cl)cc3)c3ccc(nc23)C(F)(F)F)ccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H19Cl2F3N2O4/c1-13-22(36-17-6-4-16(26)5-7-17)18-8-10-21(25(28,29)30)31-23(18)32(13)12-15-3-9-19(27)20(11-15)35-14(2)24(33)34/h3-11,14H,12H2,1-2H3,(H,33,34)/t14-/m0/s1
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| InChIKey |
SAGDKSKVPMPQCM-AWEZNQCLSA-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