General Information of the Compound
| Compound ID |
CP0813599
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| Compound Name |
3-(3-nitrophenyl)-1-(thiophen-2-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C13H9NO3S
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| Molecular Weight |
259.286
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| Canonical SMILES |
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1
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| InChI |
InChI=1S/C13H9NO3S/c15-12(13-5-2-8-18-13)7-6-10-3-1-4-11(9-10)14(16)17/h1-9H/b7-6+
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| InChIKey |
YNTQJIBSFGNMIH-VOTSOKGWSA-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