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TCMDC-132678
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NAMES
  • TCMDC-132678
SMILES
FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)cc3)nc2c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C29H25F3N6.C2HF3O2/c30-29(31,32)24-9-10-25-26(17-24)36-28(35-25)23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-37-13-15-38(16-14-37)27-18-33-11-12-34-27;3-2(4,5)1(6)7/h1-12,17-18H,13-16,19H2,(H,35,36);(H,6,7)
MOLECULAR FORMULA
C31H26F6N6O2
CROSS REFERENCES
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TCMDC-132678

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 628.20
AlogP 6.66
HBond donors 2
HBond acceptors 8
Atoms 71
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-132678.