General Information of the Compound
| Compound ID |
CP0528667
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| Compound Name |
6-(3-chlorophenyl)-4,4-diethyl-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C18H18ClNOS
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| Molecular Weight |
331.868
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| Canonical SMILES |
CCC1(CC)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H18ClNOS/c1-3-18(4-2)15-11-13(12-6-5-7-14(19)10-12)8-9-16(15)20-17(22)21-18/h5-11H,3-4H2,1-2H3,(H,20,22)
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| InChIKey |
HWFFFZIEYMMDDC-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