General Information of the Compound
| Compound ID |
CP0491953
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| Compound Name |
ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
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| Structure |
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| Formula |
C12H13N3O2S
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| Molecular Weight |
263.322
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| Canonical SMILES |
CCOC(=O)CSc1nc(N)c2ccccc2n1
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| InChI |
InChI=1S/C12H13N3O2S/c1-2-17-10(16)7-18-12-14-9-6-4-3-5-8(9)11(13)15-12/h3-6H,2,7H2,1H3,(H2,13,14,15)
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| InChIKey |
WFTSGZYZIDLQKL-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