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TCMDC-136355
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NAMES
  • TCMDC-136355
SMILES
Cl.Oc1ccc2[nH]c(-c3cccs3)nc2c1CN1CCC(O)(c2ccccc2)CC1
InChI
InChI=1S/C23H23N3O2S.ClH/c27-19-9-8-18-21(25-22(24-18)20-7-4-14-29-20)17(19)15-26-12-10-23(28,11-13-26)16-5-2-1-3-6-16;/h1-9,14,27-28H,10-13,15H2,(H,24,25);1H
MOLECULAR FORMULA
C23H24ClN3O2S
CROSS REFERENCES
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TCMDC-136355

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 441.13
AlogP 4.90
HBond donors 3
HBond acceptors 5
Atoms 54
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-136355.