General Information of the Compound
| Compound ID |
CP0103925
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| Compound Name |
2-{3-[4-(1H-pyrrol-2-yl)phenyl]propanamido}benzoic acid
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| Structure |
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| Formula |
C20H18N2O3
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| Molecular Weight |
334.375
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc[nH]1
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| InChI |
InChI=1S/C20H18N2O3/c23-19(22-18-5-2-1-4-16(18)20(24)25)12-9-14-7-10-15(11-8-14)17-6-3-13-21-17/h1-8,10-11,13,21H,9,12H2,(H,22,23)(H,24,25)
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| InChIKey |
LOXIIFXEHPKKJK-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