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TCMDC-124139
FEATURES
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NAMES
  • TCMDC-124139
SMILES
Cc1nn(CCOC(=O)NC(NCC2COc3ccccc3O2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]
InChI
InChI=1S/C18H20Cl3N5O6/c1-11-13(26(28)29)9-25(24-11)6-7-30-17(27)23-16(18(19,20)21)22-8-12-10-31-14-4-2-3-5-15(14)32-12/h2-5,9,12,16,22H,6-8,10H2,1H3,(H,23,27)
MOLECULAR FORMULA
C18H20Cl3N5O6
CROSS REFERENCES
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TCMDC-124139

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 507.05
AlogP 2.95
HBond donors 2
HBond acceptors 11
Atoms 52
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-124139.