General Information of the Compound
| Compound ID |
CP0471366
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| Compound Name |
1-N-(2-aminoethyl)-3-N-benzyl-4-nitrobenzene-1,3-diamine
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| Structure |
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| Formula |
C15H18N4O2
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| Molecular Weight |
286.335
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| Canonical SMILES |
NCCNc1ccc(c(NCc2ccccc2)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H18N4O2/c16-8-9-17-13-6-7-15(19(20)21)14(10-13)18-11-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9,11,16H2
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| InChIKey |
DMFLQVNIKROSQX-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