General Information of the Compound
| Compound ID |
CP0529765
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| Compound Name |
4,4-diethyl-6-(3-nitrophenyl)-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C18H18N2O3S
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| Molecular Weight |
342.42
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| Canonical SMILES |
CCC1(CC)OC(=[SH+])[N-]c2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18N2O3S/c1-3-18(4-2)15-11-13(8-9-16(15)19-17(24)23-18)12-6-5-7-14(10-12)20(21)22/h5-11H,3-4H2,1-2H3,(H,19,24)
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| InChIKey |
COIUOECSBDDSNQ-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