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Rac-Etomoxir-Coa
FEATURES
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NAMES
  • Rac-Etomoxir-Coa
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)cnnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1
InChI
InChI=1S/C36H53ClN7O19P3S/c1-35(2,30(47)32(48)40-13-11-26(45)39-14-16-67-34(49)36(20-58-36)12-5-3-4-6-15-57-23-9-7-22(37)8-10-23)19-60-66(55,56)63-65(53,54)59-18-25-29(62-64(50,51)52)28(46)33(61-25)44-21-41-27-24(38)17-42-43-31(27)44/h7-10,17,21,25,28-30,33,46-47H,3-6,11-16,18-20H2,1-2H3,(H2,38,43)(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,50,51,52)/t25-,28-,29-,30+,33-,36-/m1/s1
MOLECULAR FORMULA
C36H53ClN7O19P3S
CROSS REFERENCES
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Rac-Etomoxir-Coa

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1047.20
AlogP 2.12
HBond donors 10
HBond acceptors 26
Atoms 120
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 Rac-Etomoxir-Coa.