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TCMDC-136532
FEATURES
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NAMES
  • TCMDC-136532
SMILES
Oc1ccc2[nH]c(-c3ccc(F)cc3F)nc2c1CN1CCC(O)(c2ccccc2)CC1
InChI
InChI=1S/C25H23F2N3O2/c26-17-6-7-18(20(27)14-17)24-28-21-8-9-22(31)19(23(21)29-24)15-30-12-10-25(32,11-13-30)16-4-2-1-3-5-16/h1-9,14,31-32H,10-13,15H2,(H,28,29)
MOLECULAR FORMULA
C25H23F2N3O2
CROSS REFERENCES
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TCMDC-136532

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 435.18
AlogP 4.70
HBond donors 3
HBond acceptors 5
Atoms 55
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-136532.