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5HA
FEATURES
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NAMES
  • 5HA
SMILES
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
InChI
InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
MOLECULAR FORMULA
C31H38N4O5S
CROSS REFERENCES
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5HA

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 578.26
AlogP 3.03
HBond donors 4
HBond acceptors 9
Atoms 79
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 5HA.