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TCMDC-138494
FEATURES
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NAMES
  • TCMDC-138494
SMILES
COc1cc2nc(N3CCC(CCCC4CCNCC4)CC3)nc(NCc3ccccn3)c2cc1OC.O=C(O)C(F)(F)F
InChI
InChI=1S/C29H40N6O2.C2HF3O2/c1-36-26-18-24-25(19-27(26)37-2)33-29(34-28(24)32-20-23-8-3-4-13-31-23)35-16-11-22(12-17-35)7-5-6-21-9-14-30-15-10-21;3-2(4,5)1(6)7/h3-4,8,13,18-19,21-22,30H,5-7,9-12,14-17,20H2,1-2H3,(H,32,33,34);(H,6,7)
MOLECULAR FORMULA
C31H41F3N6O4
CROSS REFERENCES
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TCMDC-138494

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 618.31
AlogP 5.67
HBond donors 3
HBond acceptors 10
Atoms 85
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-138494.