833847 logo
canSAR833847
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C
    InChI
    InChI=1S/C40H58O5/c1-25(2)29(41)12-9-26(3)28-17-19-38(7)33-15-14-32-36(4,5)34(18-20-39(32)24-40(33,39)22-21-37(28,38)6)45-35(43)16-11-27-10-13-30(42)31(23-27)44-8/h10-11,13,16,23,26,28-29,32-34,41-42H,1,9,12,14-15,17-22,24H2,2-8H3/b16-11+/t26-,28-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
    MOLECULAR FORMULA
    C40H58O5
    CROSS REFERENCES
    833847 logo

    canSAR833847

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.43
    AlogP 9.12
    HBond donors 2
    HBond acceptors 5
    Atoms 103
    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 canSAR833847.