General Information of the Compound
| Compound ID |
CP0394275
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| Compound Name |
2-chloranyl-N-[3-nitro-5-(propan-2-ylideneamino)oxy-phenyl]ethanamide
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| Structure |
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| Formula |
C11H12ClN3O4
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| Molecular Weight |
285.687
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| Canonical SMILES |
C[C+](C)[N-]Oc1cc(NC(=O)CCl)cc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C11H12ClN3O4/c1-7(2)14-19-10-4-8(13-11(16)6-12)3-9(5-10)15(17)18/h3-5H,6H2,1-2H3,(H,13,16)
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| InChIKey |
IELJCNPHFSSWQX-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor