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TCMDC-135829
FEATURES
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NAMES
  • TCMDC-135829
SMILES
COc1ccc2ncc(F)c([C@H](O)CN3CCC(NCc4ccc5c(c4)NC(=O)CO5)CC3)c2c1.Cl
InChI
InChI=1S/C26H29FN4O4.ClH/c1-34-18-3-4-21-19(11-18)26(20(27)13-29-21)23(32)14-31-8-6-17(7-9-31)28-12-16-2-5-24-22(10-16)30-25(33)15-35-24;/h2-5,10-11,13,17,23,28,32H,6-9,12,14-15H2,1H3,(H,30,33);1H/t23-;/m1./s1
MOLECULAR FORMULA
C26H30ClFN4O4
CROSS REFERENCES
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TCMDC-135829

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 516.19
AlogP 3.42
HBond donors 3
HBond acceptors 8
Atoms 66
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-135829.