General Information of the Compound
| Compound ID |
CP0538536
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| Compound Name |
4-(2-methylsulfonylphenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
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| Structure |
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| Formula |
C19H23N3O5S2
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| Molecular Weight |
437.543
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
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| InChI |
InChI=1S/C19H23N3O5S2/c1-28(23,24)17-7-2-3-8-18(17)29(25,26)22-13-14-27-19-15(5-4-6-16(19)22)21-11-9-20-10-12-21/h2-8,20H,9-14H2,1H3
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| InChIKey |
OUPMFRLUSYJLTJ-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