General Information of the Compound
| Compound ID |
CP0875589
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| Compound Name |
SID56316401
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| Structure |
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| Formula |
C17H18N4O5S2
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| Molecular Weight |
422.488
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| Canonical SMILES |
O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1ccc([N+](=O)[O-])s1
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| InChI |
InChI=1S/C17H18N4O5S2/c22-17(14-9-10-16(27-14)21(23)24)19-12-5-7-13(8-6-12)28(25,26)20-15-4-2-1-3-11-18-15/h5-10H,1-4,11H2,(H,18,20)(H,19,22)
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| InChIKey |
QFRXEGQFKUAAFT-UHFFFAOYSA-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