General Information of the Compound
| Compound ID |
CP0199752
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| Compound Name |
9-(4-tert-butylphenyl)-4-nitro-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
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| Structure |
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| Formula |
C16H16N2O4S2
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| Molecular Weight |
364.448
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O
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| InChI |
InChI=1S/C16H16N2O4S2/c1-16(2,3)11-4-7-13(8-5-11)23-14-9-6-12(18(19)20)10-15(14)24(21,22)17-23/h4-10H,1-3H3
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| InChIKey |
LMCHOJPQAZKODZ-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