General Information of the Compound
| Compound ID |
CP0428022
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| Compound Name |
N-[2-(2-methoxyphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
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| Structure |
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| Formula |
C20H26N4O4
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| Molecular Weight |
386.452
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| Canonical SMILES |
COc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-7-8-18(24(25)26)17(15-16)21-9-14-28-20-6-4-3-5-19(20)27-2/h3-8,15,21H,9-14H2,1-2H3
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| InChIKey |
QTIJSNPVKDJKPJ-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