General Information of the Compound
| Compound ID |
CP0903022
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| Compound Name |
1,1-Dioxo-1,2,3,4,7,8,9,10-octahydro-1lambda6-thia-4-aza-naphthacene-5,12-dione
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| Structure |
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| Formula |
C16H15NO4S
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| Molecular Weight |
317.366
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| Canonical SMILES |
O=C1C2=C(C(=O)c3cc4c(cc31)CCCC4)S(=O)(=O)CCN2
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| InChI |
InChI=1S/C16H15NO4S/c18-14-11-7-9-3-1-2-4-10(9)8-12(11)15(19)16-13(14)17-5-6-22(16,20)21/h7-8,17H,1-6H2
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| InChIKey |
IJQZTQOKRUWBKM-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