BNI
FEATURES
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NAMES
  • BNI
SMILES
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc([N+](=O)[O-])cc1
InChI
InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
MOLECULAR FORMULA
C16H20N4O4S
CROSS REFERENCES
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BNI
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight364.12
AlogP2.26
HBond donors3
HBond acceptors8
Atoms45
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by BNI.