General Information of the Compound
| Compound ID |
CP0235285
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| Compound Name |
4-[(Benzyl)(4-nitrophenyl)amino]-2-hydroxymethyl-1-methylpyrrole
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| Structure |
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| Formula |
C19H19N3O3
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| Molecular Weight |
337.379
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| Canonical SMILES |
Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H19N3O3/c1-20-13-18(11-19(20)14-23)21(12-15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(24)25/h2-11,13,23H,12,14H2,1H3
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| InChIKey |
GOTXUHYDSMZJGS-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