General Information of the Compound
| Compound ID |
CP0558887
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| Compound Name |
4-[[[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
OC(=O)c1ccc(CNC(=O)CC2c3ccccc3-c3cncn23)cc1
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| InChI |
InChI=1S/C20H17N3O3/c24-19(22-10-13-5-7-14(8-6-13)20(25)26)9-17-15-3-1-2-4-16(15)18-11-21-12-23(17)18/h1-8,11-12,17H,9-10H2,(H,22,24)(H,25,26)
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| InChIKey |
CHZNADRELRZCFY-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