TCMDC-124002
FEATURES
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NAMES
  • TCMDC-124002
SMILES
CC1CCC(C(C)C)C(OC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)C1
InChI
InChI=1S/C21H26N4O2S/c1-12(2)14-9-8-13(3)10-17(14)27-18(26)11-28-21-23-20-19(24-25-21)15-6-4-5-7-16(15)22-20/h4-7,12-14,17H,8-11H2,1-3H3,(H,22,23,25)
MOLECULAR FORMULA
C21H26N4O2S
CROSS REFERENCES
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TCMDC-124002
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight398.18
AlogP4.60
HBond donors1
HBond acceptors6
Atoms54
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-124002.