General Information of the Compound
| Compound ID |
CP0485370
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| Compound Name |
5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)benzenamine
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| Structure |
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
CC(Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3
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| InChIKey |
RLTJMSYXAHMHKI-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