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Iotrochamides B
FEATURES
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NAMES
  • Iotrochamides B
SMILES
CO/C(=C\c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
InChI
InChI=1S/C21H19BrN2O4/c1-28-19(9-13-5-3-2-4-6-13)20(25)24-18(21(26)27)10-14-12-23-17-11-15(22)7-8-16(14)17/h2-9,11-12,18,23H,10H2,1H3,(H,24,25)(H,26,27)/b19-9-/t18-/m0/s1
MOLECULAR FORMULA
C21H19BrN2O4
CROSS REFERENCES
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Iotrochamides B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 442.05
AlogP 3.73
HBond donors 3
HBond acceptors 6
Atoms 47
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 Iotrochamides B.