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(-)-Agelastatin C
FEATURES
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NAMES
  • (-)-Agelastatin C
SMILES
CN1C(=O)N[C@@]2(O)[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12O
InChI
InChI=1S/C12H13BrN4O4/c1-16-10(19)15-12(21)8-6(4-11(12,16)20)17-5(9(18)14-8)2-3-7(17)13/h2-3,6,8,20-21H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,11+,12-/m1/s1
MOLECULAR FORMULA
C12H13BrN4O4
CROSS REFERENCES
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(-)-Agelastatin C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 356.01
AlogP -0.66
HBond donors 4
HBond acceptors 8
Atoms 34
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 (-)-Agelastatin C.