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Hydrocortisone 21-Hemipimelate
FEATURES
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NAMES
  • Hydrocortisone 21-Hemipimelate
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C49H68O12/c1-44-18-14-30(50)22-28(44)10-12-32-34-16-20-48(58,46(34,3)24-36(52)42(32)44)38(54)26-60-40(56)8-6-5-7-9-41(57)61-27-39(55)49(59)21-17-35-33-13-11-29-23-31(51)15-19-45(29,2)43(33)37(53)25-47(35,49)4/h22-23,32-37,42-43,52-53,58-59H,5-21,24-27H2,1-4H3/t32-,33-,34-,35-,36-,37-,42+,43+,44-,45-,46-,47-,48-,49-/m0/s1
MOLECULAR FORMULA
C49H68O12
CROSS REFERENCES
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Hydrocortisone 21-Hemipimelate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 848.47
AlogP 5.63
HBond donors 4
HBond acceptors 12
Atoms 129
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 Hydrocortisone 21-Hemipimelate.