General Information of the Compound
| Compound ID |
CP0874891
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| Compound Name |
SID57262891
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| Structure |
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| Formula |
C19H16N4O7S
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| Molecular Weight |
444.425
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| Canonical SMILES |
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1
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| InChI |
InChI=1S/C19H16N4O7S/c1-29-17-8-3-2-7-16(17)22-31(27,28)15-6-4-5-13(11-15)19(24)21-20-12-14-9-10-18(30-14)23(25)26/h2-12,22H,1H3,(H,21,24)/b20-12+
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| InChIKey |
RYMBMAVHNVPXJR-UDWIEESQSA-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
Protein ID: PT06124, Paired box protein Pax-8