Aclarubicin
FEATURES
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NAMES
  • Aclacinomycin A
  • Aclarubicin
  • Aclarubicin HCl
  • Aclarubicin Hydrochloride
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
InChI
InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
MOLECULAR FORMULA
C42H53NO15
CROSS REFERENCES
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Aclarubicin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight811.34
AlogP3.16
HBond donors4
HBond acceptors16
Atoms111
Contains toxicophoreNo
Contains PAINSYes
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Aclarubicin.