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TCMDC-133033
FEATURES
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NAMES
  • TCMDC-133033
SMILES
Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(CCO)CC5)cc4)cc3)[nH]c12.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H30N4O.C2HF3O2/c1-20-3-2-4-25-26(20)29-27(28-25)24-11-9-23(10-12-24)22-7-5-21(6-8-22)19-31-15-13-30(14-16-31)17-18-32;3-2(4,5)1(6)7/h2-12,32H,13-19H2,1H3,(H,28,29);(H,6,7)
MOLECULAR FORMULA
C29H31F3N4O3
CROSS REFERENCES
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TCMDC-133033

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 540.23
AlogP 4.95
HBond donors 3
HBond acceptors 7
Atoms 70
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-133033.