General Information of the Compound
| Compound ID |
CP0251081
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| Compound Name |
5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C16H11ClN2O2
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| Molecular Weight |
298.729
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| Canonical SMILES |
OC(=O)c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H11ClN2O2/c17-12-3-1-10(2-4-12)14-9-13(16(20)21)15(19-14)11-5-7-18-8-6-11/h1-9,19H,(H,20,21)
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| InChIKey |
LIOGBRNAEJMZBU-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