General Information of the Compound
| Compound ID |
CP0930469
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| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-12-carboxylic acid(2-dimethylamino-ethyl)-amide
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| Structure |
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| Formula |
C20H20N4O3S
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| Molecular Weight |
396.472
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| Canonical SMILES |
CN(C)CCNC(=O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
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| InChI |
InChI=1S/C20H20N4O3S/c1-24(2)11-10-22-20(25)16-12-15-13-6-3-4-8-17(13)28(26,27)23-19(15)18-14(16)7-5-9-21-18/h3-9,12,23H,10-11H2,1-2H3,(H,22,25)
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| InChIKey |
DIXXGSHBOWHBFF-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