General Information of the Compound
| Compound ID |
CP0961012
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| Compound Name |
N'-(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-12-yl)-N,N-dimethyl-ethane-1,2-diamine
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| Structure |
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| Formula |
C19H20N4O2S
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| Molecular Weight |
368.462
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| Canonical SMILES |
CN(C)CCNc1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
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| InChI |
InChI=1S/C19H20N4O2S/c1-23(2)11-10-20-16-12-15-13-6-3-4-8-17(13)26(24,25)22-19(15)18-14(16)7-5-9-21-18/h3-9,12,20,22H,10-11H2,1-2H3
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| InChIKey |
KMGGVNIEWOIXAE-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