833363 logo
canSAR833363
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC/C=C\C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C46H73NO12/c1-10-11-12-15-33-21-27(2)20-28(3)22-39(56-8)42-40(57-9)24-30(5)46(54,59-42)43(51)44(52)47-19-14-13-16-34(47)45(53)58-41(31(6)36(49)26-37(33)50)29(4)23-32-17-18-35(48)38(25-32)55-7/h11-12,21,23,28,30-36,38-42,48-49,54H,10,13-20,22,24-26H2,1-9H3/b12-11-,27-21+,29-23+/t28-,30+,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46+/m0/s1
    MOLECULAR FORMULA
    C46H73NO12
    CROSS REFERENCES
    833363 logo

    canSAR833363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 831.51
    AlogP 5.42
    HBond donors 3
    HBond acceptors 13
    Atoms 132
    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 canSAR833363.