General Information of the Compound
| Compound ID |
CP0846007
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| Compound Name |
SID56323601
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| Structure |
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| Formula |
C15H15N3O6S2
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| Molecular Weight |
397.434
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| Canonical SMILES |
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1
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| InChI |
InChI=1S/C15H15N3O6S2/c19-15(13-5-6-14(25-13)18(20)21)16-11-1-3-12(4-2-11)26(22,23)17-7-9-24-10-8-17/h1-6H,7-10H2,(H,16,19)
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| InChIKey |
YJMCLZCSFUBDQP-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: PT06113, DNA damage-inducible transcript 3 protein
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06096, X-box-binding protein 1