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TCMDC-139975
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NAMES
  • TCMDC-139975
SMILES
COc1ccccc1/C=C/C(=O)NC1CCC(CCN2CCc3ccc(-c4cc(C)no4)cc3CC2)CC1.Cl
InChI
InChI=1S/C32H39N3O3.ClH/c1-23-21-31(38-34-23)28-10-9-25-16-19-35(20-17-27(25)22-28)18-15-24-7-12-29(13-8-24)33-32(36)14-11-26-5-3-4-6-30(26)37-2;/h3-6,9-11,14,21-22,24,29H,7-8,12-13,15-20H2,1-2H3,(H,33,36);1H/b14-11+;
MOLECULAR FORMULA
C32H40ClN3O3
CROSS REFERENCES
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TCMDC-139975

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 549.28
AlogP 6.26
HBond donors 1
HBond acceptors 6
Atoms 79
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-139975.