General Information of the Compound
| Compound ID |
CP0533144
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| Compound Name |
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
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| Structure |
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| Formula |
C18H21FN4O2
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| Molecular Weight |
344.39
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(NCc2ccc(F)cc2)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H21FN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3
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| InChIKey |
HLSPGBDTBCMRFQ-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