General Information of the Compound
| Compound ID |
CP0378347
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
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| Structure |
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| Formula |
C17H17N5O4
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| Molecular Weight |
355.354
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| Canonical SMILES |
[O-][N+](=O)c1c[cH-]c(N2CCN(Cc3ccccc3)CC2)c2[c+]1[n-]o[n+]2=O
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| InChI |
InChI=1S/C17H17N5O4/c23-21(24)14-6-7-15(17-16(14)18-26-22(17)25)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-7H,8-12H2
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| InChIKey |
HXSYYCOFWSTFAE-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3