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Amaralin
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NAMES
  • Amaralin
SMILES
C[C@@H]1C[C@@H]2OC(=O)C[C@H]2C[C@@]2(C)[C@H]1[C@H]1O[C@H]1[C@@H]2O
InChI
InChI=1S/C14H20O4/c1-6-3-8-7(4-9(15)17-8)5-14(2)10(6)11-12(18-11)13(14)16/h6-8,10-13,16H,3-5H2,1-2H3/t6-,7+,8+,10-,11-,12-,13+,14+/m1/s1
MOLECULAR FORMULA
C14H20O4
CROSS REFERENCES
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Amaralin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 252.14
AlogP 1.11
HBond donors 1
HBond acceptors 4
Atoms 38
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Amaralin.