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Glycochenodeoxycholic Acid
FEATURES
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NAMES
  • Glycochenodeoxycholic acid
  • Glycoursodeoxycholate
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
MOLECULAR FORMULA
C26H43NO5
CROSS REFERENCES
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Glycochenodeoxycholic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 449.31
AlogP 3.59
HBond donors 4
HBond acceptors 6
Atoms 75
Contains toxicophore Yes
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Glycochenodeoxycholic Acid.