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SB-T-12842-1
FEATURES
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NAMES
  • SB-T-12842-1
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](NC(=O)OC(C)(C)C)C(F)F)C(C)=C1C2(C)C
InChI
InChI=1S/C42H55F2NO16/c1-11-26(48)58-30-27-19(2)23(57-36(52)29(49)28(34(43)44)45-37(53)61-38(4,5)6)17-42(54,39(27,7)8)33(59-35(51)21-13-12-14-22(15-21)55-10)31-40(9,32(30)50)24(47)16-25-41(31,18-56-25)60-20(3)46/h12-15,23-25,28-31,33-34,47,49,54H,11,16-18H2,1-10H3,(H,45,53)/t23-,24-,25+,28+,29+,30+,31-,33-,40+,41-,42+/m0/s1
MOLECULAR FORMULA
C42H55F2NO16
CROSS REFERENCES
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SB-T-12842-1

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 867.35
AlogP 3.12
HBond donors 4
HBond acceptors 17
Atoms 116
Contains toxicophore No
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-12842-1.