General Information of the Compound
| Compound ID |
CP0555217
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| Compound Name |
3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methylbenzonitrile
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| Structure |
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| Formula |
C18H16N2OS
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| Molecular Weight |
308.406
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| Canonical SMILES |
Cc1cc(cc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
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| InChI |
InChI=1S/C18H16N2OS/c1-11-6-12(10-19)8-14(7-11)13-4-5-16-15(9-13)18(2,3)21-17(22)20-16/h4-9H,1-3H3,(H,20,22)
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| InChIKey |
NGXWFLCNLTYJKI-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