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TCMDC-140778
FEATURES
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NAMES
  • TCMDC-140778
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cn5cc(F)ccc5n4)CC3)c2c1.O=C(O)C(=O)O
InChI
InChI=1S/C25H28FN5O2.C2H2O4/c1-33-20-3-4-23-22(12-20)21(6-9-27-23)24(32)16-30-10-7-18(8-11-30)28-13-19-15-31-14-17(26)2-5-25(31)29-19;3-1(4)2(5)6/h2-6,9,12,14-15,18,24,28,32H,7-8,10-11,13,16H2,1H3;(H,3,4)(H,5,6)/t24-;/m0./s1
MOLECULAR FORMULA
C27H30FN5O6
CROSS REFERENCES
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TCMDC-140778

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 539.22
AlogP 2.47
HBond donors 4
HBond acceptors 11
Atoms 69
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140778.