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18-OXOTRYPROSTATIN A
FEATURES
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NAMES
  • 18-Oxotryprostatin A
SMILES
COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(C(=O)C=C(C)C)[nH]c2c1
InChI
InChI=1S/C22H25N3O4/c1-12(2)9-19(26)20-15(14-7-6-13(29-3)10-16(14)23-20)11-17-22(28)25-8-4-5-18(25)21(27)24-17/h6-7,9-10,17-18,23H,4-5,8,11H2,1-3H3,(H,24,27)/t17-,18-/m0/s1
MOLECULAR FORMULA
C22H25N3O4
CROSS REFERENCES
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18-OXOTRYPROSTATIN A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 395.18
AlogP 2.36
HBond donors 2
HBond acceptors 7
Atoms 54
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 18-OXOTRYPROSTATIN A.