SB-T-12821-1
FEATURES
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NAMES
  • SB-T-12821-1
SMILES
COc1cccc(C(=O)O[C@H]2[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)C[C@]2(O)C4(C)C)[C@@H](O)C[C@H]2OC[C@]23OC(C)=O)c1
InChI
InChI=1S/C41H52F3NO16/c1-18-23(58-34(52)27(49)30(41(42,43)44)45-35(53)61-36(4,5)6)16-40(54)32(59-33(51)21-12-11-13-22(14-21)55-10)29-38(9,24(48)15-25-39(29,17-56-25)60-20(3)47)31(50)28(57-19(2)46)26(18)37(40,7)8/h11-14,23-25,27-30,32,48-49,54H,15-17H2,1-10H3,(H,45,53)/t23-,24-,25+,27+,28+,29-,30+,32-,38+,39-,40+/m0/s1
MOLECULAR FORMULA
C41H52F3NO16
CROSS REFERENCES
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SB-T-12821-1
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight871.32
AlogP3.03
HBond donors4
HBond acceptors17
Atoms113
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by SB-T-12821-1.