General Information of the Compound
| Compound ID |
CP0526506
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| Compound Name |
N-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
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| Structure |
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| Formula |
C23H32N4O3
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| Molecular Weight |
412.534
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(NCCOc2ccc(cc2)C(C)(C)C)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H32N4O3/c1-23(2,3)18-5-8-20(9-6-18)30-16-11-24-21-17-19(7-10-22(21)27(28)29)26-14-12-25(4)13-15-26/h5-10,17,24H,11-16H2,1-4H3
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| InChIKey |
TUMAHXIHYVMANX-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