General Information of the Compound
| Compound ID |
CP0959849
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| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carboxylic acid
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| Structure |
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| Formula |
C16H10N2O4S
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| Molecular Weight |
326.333
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| Canonical SMILES |
O=C(O)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C16H10N2O4S/c19-16(20)10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-23(13,21)22/h1-8,18H,(H,19,20)
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| InChIKey |
NWICDGGMXHDEDN-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