General Information of the Compound
| Compound ID |
CP0863749
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| Compound Name |
(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-1-yl)-methyl-amine
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| Structure |
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| Formula |
C16H13N3O2S
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| Molecular Weight |
311.366
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| Canonical SMILES |
CNc1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3
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| InChI |
InChI=1S/C16H13N3O2S/c1-17-13-8-9-18-15-12(13)7-6-11-10-4-2-3-5-14(10)22(20,21)19-16(11)15/h2-9,19H,1H3,(H,17,18)
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| InChIKey |
DBFLUTORRHNETA-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