General Information of the Compound
| Compound ID |
CP0039752
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| Compound Name |
MLS002693850
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| Synonyms |
NQN-1
NSC 73233
PPM-18
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| Structure |
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| Formula |
C17H11NO3
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| Molecular Weight |
277.279
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| Canonical SMILES |
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
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| InChIKey |
BIVQBWSIGJFXLF-UHFFFAOYSA-N
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| CAS |
65240-86-0
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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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8
Clinical Information about the Compound