General Information of the Compound
| Compound ID |
CP0109216
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| Compound Name |
4-nitro-N-(2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C16H18N4O3
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| Molecular Weight |
314.345
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| Canonical SMILES |
[O-][N+](=O)c1c[nH]c(c1)C(=O)Nc1ccccc1N1CCCCC1
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| InChI |
InChI=1S/C16H18N4O3/c21-16(14-10-12(11-17-14)20(22)23)18-13-6-2-3-7-15(13)19-8-4-1-5-9-19/h2-3,6-7,10-11,17H,1,4-5,8-9H2,(H,18,21)
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| InChIKey |
MOTVDMMBPOYATB-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