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SB-T-12853-1
FEATURES
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NAMES
  • SB-T-12853-1
SMILES
CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2cccc(OC)c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(F)F)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C
InChI
InChI=1S/C43H55F2NO16/c1-11-29(49)59-32-30-20(2)25(58-37(53)31(50)24(16-28(44)45)46-38(54)62-39(4,5)6)18-43(55,40(30,7)8)35(60-36(52)22-13-12-14-23(15-22)56-10)33-41(9,34(32)51)26(48)17-27-42(33,19-57-27)61-21(3)47/h12-16,24-27,31-33,35,48,50,55H,11,17-19H2,1-10H3,(H,46,54)/t24-,25-,26-,27+,31+,32+,33-,35-,41+,42-,43+/m0/s1
MOLECULAR FORMULA
C43H55F2NO16
CROSS REFERENCES
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SB-T-12853-1

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 879.35
AlogP 3.64
HBond donors 4
HBond acceptors 17
Atoms 117
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 SB-T-12853-1.