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TCMDC-140473
FEATURES
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NAMES
  • TCMDC-140473
SMILES
O=C(O)C(F)(F)F.c1ccc(CN2CCC(NCc3ccccc3-c3ccc(CNC4CCCC4)cc3)CC2)cc1
InChI
InChI=1S/C31H39N3.C2HF3O2/c1-2-8-26(9-3-1)24-34-20-18-30(19-21-34)33-23-28-10-4-7-13-31(28)27-16-14-25(15-17-27)22-32-29-11-5-6-12-29;3-2(4,5)1(6)7/h1-4,7-10,13-17,29-30,32-33H,5-6,11-12,18-24H2;(H,6,7)
MOLECULAR FORMULA
C33H40F3N3O2
CROSS REFERENCES
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TCMDC-140473

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 567.31
AlogP 6.77
HBond donors 3
HBond acceptors 5
Atoms 81
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-140473.