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KNI-10526
FEATURES
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NAMES
  • KNI-10526
SMILES
Cc1cc(NCc2cccnc2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChI
InChI=1S/C41H47N5O6S/c1-25-17-30(43-22-28-13-10-16-42-21-28)18-26(2)37(25)52-23-34(48)44-32(19-27-11-6-5-7-12-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-15-9-8-14-29(31)20-33(35)47/h5-18,21,32-33,35-36,38,43,47,49H,19-20,22-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1
MOLECULAR FORMULA
C41H47N5O6S
CROSS REFERENCES
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KNI-10526

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 737.32
AlogP 4.23
HBond donors 5
HBond acceptors 11
Atoms 100
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by KNI-10526.