General Information of the Compound
| Compound ID |
CP0961013
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| Compound Name |
1-(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-12-yl)-ethanol
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| Structure |
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| Formula |
C17H14N2O3S
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| Molecular Weight |
326.377
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| Canonical SMILES |
CC(O)c1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
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| InChI |
InChI=1S/C17H14N2O3S/c1-10(20)13-9-14-11-5-2-3-7-15(11)23(21,22)19-17(14)16-12(13)6-4-8-18-16/h2-10,19-20H,1H3
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| InChIKey |
ZEBBWHUFBOECHF-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