TCMDC-140998
FEATURES
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NAMES
  • TCMDC-140998
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)C(c4cc5ccccc5s4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1
InChI
InChI=1S/C38H43N5O4S/c1-46-28-11-12-31-30(24-28)29(13-16-39-31)33(44)25-41-17-14-27(15-18-41)40-38(45)37(36-23-26-7-3-6-10-35(26)48-36)43-21-19-42(20-22-43)32-8-4-5-9-34(32)47-2/h3-13,16,23-24,27,33,37,44H,14-15,17-22,25H2,1-2H3,(H,40,45)/t33-,37?/m0/s1
MOLECULAR FORMULA
C38H43N5O4S
CROSS REFERENCES
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TCMDC-140998
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight665.30
AlogP5.64
HBond donors2
HBond acceptors9
Atoms91
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140998.