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TCMDC-135203
FEATURES
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NAMES
  • TCMDC-135203
SMILES
CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CCCCC2)cc(N2CCCCS2(=O)=O)c1.O=CO
InChI
InChI=1S/C30H44N4O4S.CH2O2/c1-22(2)32-26-18-24(19-27(20-26)34-15-9-10-16-39(34,37)38)30(36)33-28(17-23-11-5-3-6-12-23)29(35)21-31-25-13-7-4-8-14-25;2-1-3/h3,5-6,11-12,18-20,22,25,28-29,31-32,35H,4,7-10,13-17,21H2,1-2H3,(H,33,36);1H,(H,2,3)/t28-,29+;/m0./s1
MOLECULAR FORMULA
C31H46N4O6S
CROSS REFERENCES
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TCMDC-135203

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 602.31
AlogP 3.76
HBond donors 5
HBond acceptors 10
Atoms 88
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-135203.