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TCMDC-138893
FEATURES
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NAMES
  • TCMDC-138893
SMILES
CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1
InChI
InChI=1S/C36H48N4O6S/c1-4-16-39(17-5-2)36(43)30-22-29(23-31(24-30)40-18-9-10-19-47(40,44)45)35(42)38-33(21-27-12-7-6-8-13-27)34(41)26-37-25-28-14-11-15-32(20-28)46-3/h6-8,11-15,20,22-24,33-34,37,41H,4-5,9-10,16-19,21,25-26H2,1-3H3,(H,38,42)/t33-,34+/m0/s1
MOLECULAR FORMULA
C36H48N4O6S
CROSS REFERENCES
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TCMDC-138893

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 664.33
AlogP 4.38
HBond donors 3
HBond acceptors 10
Atoms 95
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138893.