General Information of the Compound
| Compound ID |
CP0944894
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| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-12-carboxylic acid(2-piperidin-1-yl-ethyl)-amide
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| Structure |
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| Formula |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
O=C(NCCN1CCCCC1)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
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| InChI |
InChI=1S/C23H24N4O3S/c28-23(25-11-14-27-12-4-1-5-13-27)19-15-18-16-7-2-3-9-20(16)31(29,30)26-22(18)21-17(19)8-6-10-24-21/h2-3,6-10,15,26H,1,4-5,11-14H2,(H,25,28)
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| InChIKey |
AKISUSHJJXFFET-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