General Information of the Compound
| Compound ID |
CP0557739
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| Compound Name |
1-(3-chloro-2-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C14H11ClN2O2
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| Molecular Weight |
274.707
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| Canonical SMILES |
Cc1cc(C(O)=O)c(C)n1-c1cccc(Cl)c1C#N
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| InChI |
InChI=1S/C14H11ClN2O2/c1-8-6-10(14(18)19)9(2)17(8)13-5-3-4-12(15)11(13)7-16/h3-6H,1-2H3,(H,18,19)
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| InChIKey |
LYTWQDUEUXWSRC-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