General Information of the Compound
| Compound ID |
CP0460170
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| Compound Name |
3-(1-Ethyl-4,4-dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile
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| Structure |
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| Formula |
C19H17FN2OS
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| Molecular Weight |
340.423
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| Canonical SMILES |
CCN1C(=S)OC(C)(C)c2cc(ccc12)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C19H17FN2OS/c1-4-22-17-6-5-13(10-16(17)19(2,3)23-18(22)24)14-7-12(11-21)8-15(20)9-14/h5-10H,4H2,1-3H3
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| InChIKey |
CFQMMYOYPCDNTL-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