TCMDC-141077
FEATURES
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NAMES
  • TCMDC-141077
SMILES
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1
InChI
InChI=1S/C27H33N3O3S2/c1-20-11-15-29(16-12-20)17-13-23-8-5-14-30(23)35(32,33)24-9-4-7-22(19-24)28-27(31)26-18-21-6-2-3-10-25(21)34-26/h2-4,6-7,9-10,18-20,23H,5,8,11-17H2,1H3,(H,28,31)/t23-/m1/s1
MOLECULAR FORMULA
C27H33N3O3S2
CROSS REFERENCES
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TCMDC-141077
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight511.20
AlogP5.43
HBond donors1
HBond acceptors6
Atoms68
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-141077.