General Information of the Compound
| Compound ID |
CP0949358
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| Compound Name |
(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-dimethyl-amine
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| Structure |
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| Formula |
C17H15N3O2S
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| Molecular Weight |
325.393
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| Canonical SMILES |
CN(C)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C17H15N3O2S/c1-20(2)12-6-8-15-14(10-12)13-7-5-11-4-3-9-18-16(11)17(13)19-23(15,21)22/h3-10,19H,1-2H3
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| InChIKey |
XEFYMKSVVWCIEG-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