General Information of the Compound
| Compound ID |
CP0196335
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| Compound Name |
N-(furan-2-ylmethyl)-2-nitro-5-piperazin-1-ylaniline
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| Structure |
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| Formula |
C15H18N4O3
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| Molecular Weight |
302.334
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1NCc1ccco1)N1CCNCC1
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| InChI |
InChI=1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2
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| InChIKey |
KDQLWCWVKPPGQU-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