Alvespimycin
FEATURES
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NAMES
  • Alvespimycin
  • KOS
SMILES
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
InChI
InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
MOLECULAR FORMULA
C32H48N4O8
CROSS REFERENCES
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Alvespimycin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight616.35
AlogP1.91
HBond donors5
HBond acceptors12
Atoms92
Contains toxicophoreYes
Contains PAINSYes
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Alvespimycin.