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Estradiol Mustard
FEATURES
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NAMES
  • Estradiol Mustard
SMILES
C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1
InChI
InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1
MOLECULAR FORMULA
C42H50Cl4N2O4
CROSS REFERENCES
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Estradiol Mustard

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 786.25
AlogP 9.41
HBond donors 0
HBond acceptors 6
Atoms 102
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Estradiol Mustard.