General Information of the Compound
| Compound ID |
CP0718794
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| Compound Name |
SID49822752
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| Structure |
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| Formula |
C11H5ClN4O4S
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| Molecular Weight |
324.705
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| Canonical SMILES |
O=C(Nc1c(Cl)ccc2nsnc12)c1ccc([N+](=O)[O-])o1
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| InChI |
InChI=1S/C11H5ClN4O4S/c12-5-1-2-6-10(15-21-14-6)9(5)13-11(17)7-3-4-8(20-7)16(18)19/h1-4H,(H,13,17)
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| InChIKey |
YNSLXOVREVUGBZ-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: PT06172, Mothers against decapentaplegic homolog 3