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TCMDC-140604
FEATURES
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NAMES
  • TCMDC-140604
SMILES
O=C(Nc1ccccc1)N(Cc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1)C1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C41H42N4O3.C2HF3O2/c46-41(43-37-9-5-2-6-10-37)45(38-21-23-44(24-22-38)28-32-7-3-1-4-8-32)29-33-13-18-36(19-14-33)35-16-11-31(12-17-35)26-42-27-34-15-20-39-40(25-34)48-30-47-39;3-2(4,5)1(6)7/h1-20,25,38,42H,21-24,26-30H2,(H,43,46);(H,6,7)
MOLECULAR FORMULA
C43H43F3N4O5
CROSS REFERENCES
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TCMDC-140604

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 752.32
AlogP 8.70
HBond donors 3
HBond acceptors 9
Atoms 98
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-140604.