15-Methoxyansamitocin P-3
FEATURES
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NAMES
  • 15-Methoxyansamitocin P-3
SMILES
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2OC
InChI
InChI=1S/C33H45ClN2O10/c1-17(2)30(38)45-25-15-26(37)36(6)21-13-20(14-22(41-7)27(21)34)28(43-9)18(3)11-10-12-24(42-8)33(40)16-23(44-31(39)35-33)19(4)29-32(25,5)46-29/h10-14,17,19,23-25,28-29,40H,15-16H2,1-9H3,(H,35,39)/b12-10+,18-11+/t19-,23+,24-,25+,28?,29+,32+,33+/m1/s1
MOLECULAR FORMULA
C33H45ClN2O10
CROSS REFERENCES
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15-Methoxyansamitocin P-3
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight664.28
AlogP4.47
HBond donors2
HBond acceptors12
Atoms91
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 15-Methoxyansamitocin P-3.