General Information of the Compound
| Compound ID |
CP0793545
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| Compound Name |
CO-ADD:0136820
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| Structure |
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| Formula |
C18H14N4O3
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| Molecular Weight |
334.335
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| Canonical SMILES |
O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C18H14N4O3/c23-18(13-1-7-17(8-2-13)22(24)25)21-15-5-3-14(4-6-15)20-16-9-11-19-12-10-16/h1-12H,(H,19,20)(H,21,23)
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| InChIKey |
LXRNPLQXTWJKIP-UHFFFAOYSA-N
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| CAS |
23552-71-8
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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: PT06033, Microphthalmia-associated transcription factor