General Information of the Compound
| Compound ID |
CP0553985
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| Compound Name |
2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C16H19NO2
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| Molecular Weight |
257.333
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| Canonical SMILES |
CC(C)c1cccc(c1)-n1c(C)cc(C(O)=O)c1C
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| InChI |
InChI=1S/C16H19NO2/c1-10(2)13-6-5-7-14(9-13)17-11(3)8-15(12(17)4)16(18)19/h5-10H,1-4H3,(H,18,19)
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| InChIKey |
TVQFJCJJCMXIQL-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