General Information of the Compound
| Compound ID |
CP0744196
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| Compound Name |
SID104219503
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| Structure |
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| Formula |
C15H14N2O3S
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| Molecular Weight |
302.355
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| Canonical SMILES |
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c(C)c1
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| InChI |
InChI=1S/C15H14N2O3S/c1-10-3-6-13(11(2)9-10)16-14(18)7-4-12-5-8-15(21-12)17(19)20/h3-9H,1-2H3,(H,16,18)/b7-4+
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| InChIKey |
QKGGUPYBZFVEPV-QPJJXVBHSA-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: PT06124, Paired box protein Pax-8