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TCMDC-135965
FEATURES
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NAMES
  • TCMDC-135965
SMILES
CC(=O)N/N=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(F)cc1
InChI
InChI=1S/C25H31FN4O3/c1-17(2)15-23(29-24(32)20-10-12-21(26)13-11-20)25(33)28-22(16-27-30-18(3)31)14-9-19-7-5-4-6-8-19/h4-8,10-13,16-17,22-23H,9,14-15H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)/b27-16+/t22-,23-/m0/s1
MOLECULAR FORMULA
C25H31FN4O3
CROSS REFERENCES
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TCMDC-135965

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 454.24
AlogP 3.21
HBond donors 3
HBond acceptors 7
Atoms 64
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-135965.