General Information of the Compound
| Compound ID |
CP0089415
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| Compound Name |
(1-methyl-4-(4-nitrophenylamino)-1H-pyrrol-2-yl)(pyrrolidin-1-yl)methanone
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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 |
Cn1cc(Nc2ccc(cc2)[N+]([O-])=O)cc1C(=O)N1CCCC1
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| InChI |
InChI=1S/C16H18N4O3/c1-18-11-13(10-15(18)16(21)19-8-2-3-9-19)17-12-4-6-14(7-5-12)20(22)23/h4-7,10-11,17H,2-3,8-9H2,1H3
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| InChIKey |
QIMAQOUMOREGLL-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