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SMM
FEATURES
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NAMES
  • SMM
SMILES
COC(=O)[C@@H](N)CC[SH](C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
MOLECULAR FORMULA
C16H26N6O5S
CROSS REFERENCES
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SMM

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 414.17
AlogP -1.45
HBond donors 6
HBond acceptors 11
Atoms 54
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 SMM.