General Information of the Compound
| Compound ID |
CP0383397
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| Compound Name |
4-benzyl-6-(3-chlorophenyl)-4-methyl-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C22H18ClNOS
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| Molecular Weight |
379.912
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| Canonical SMILES |
CC1(Cc2ccccc2)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H18ClNOS/c1-22(14-15-6-3-2-4-7-15)19-13-17(16-8-5-9-18(23)12-16)10-11-20(19)24-21(26)25-22/h2-13H,14H2,1H3,(H,24,26)
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| InChIKey |
JSOJTUILYANJMW-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