General Information of the Compound
| Compound ID |
CP0503518
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| Compound Name |
4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C15H12N2O2S
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| Molecular Weight |
284.34
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| Canonical SMILES |
CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
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| InChI |
InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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| InChIKey |
OTDVEVBRJYVJHY-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