3BN
FEATURES
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NAMES
  • 3BN
SMILES
CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(C(=O)c2ccccc2)c1)S(C)(=O)=O
InChI
InChI=1S/C29H33N3O5S/c1-32(38(2,36)37)25-17-22(28(34)21-11-7-4-8-12-21)16-23(18-25)29(35)31-26(15-20-9-5-3-6-10-20)27(33)19-30-24-13-14-24/h3-12,16-18,24,26-27,30,33H,13-15,19H2,1-2H3,(H,31,35)/t26-,27+/m0/s1
MOLECULAR FORMULA
C29H33N3O5S
CROSS REFERENCES
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3BN
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight535.21
AlogP2.77
HBond donors3
HBond acceptors8
Atoms71
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3BN.