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TCMDC-139912
FEATURES
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NAMES
  • TCMDC-139912
SMILES
O=C(C=Cc1ccccc1O)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
InChI
InChI=1S/C28H33N3O2/c32-27-8-4-1-5-23(27)9-10-28(33)31-17-11-21(12-18-31)20-30-15-13-22(14-16-30)25-19-29-26-7-3-2-6-24(25)26/h1-10,19,21-22,29,32H,11-18,20H2
MOLECULAR FORMULA
C28H33N3O2
CROSS REFERENCES
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TCMDC-139912

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 443.26
AlogP 5.00
HBond donors 2
HBond acceptors 5
Atoms 66
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-139912.