General Information of the Compound
| Compound ID |
CP0549996
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| Compound Name |
N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C16H16N4O2S2
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| Molecular Weight |
360.464
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| Canonical SMILES |
O=S1(=O)CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C16H16N4O2S2/c21-24(22)5-3-12(4-6-24)20-16-13-7-11(15-8-17-10-23-15)1-2-14(13)18-9-19-16/h1-2,7-10,12H,3-6H2,(H,18,19,20)
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| InChIKey |
HNDMAVYDWZHBTK-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