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3DH
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NAMES
  • 3DH
SMILES
CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
MOLECULAR FORMULA
C12H17N5O3S
CROSS REFERENCES
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3DH

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 311.11
AlogP -0.22
HBond donors 4
HBond acceptors 8
Atoms 38
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 3DH.