779445 logo
canSAR779445
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)CNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C33H53NO5/c1-28(2)13-15-33(27(38)34-19-25(36)39-8)16-14-31(6)20(21(33)17-28)9-10-24-30(5)18-22(35)26(37)29(3,4)23(30)11-12-32(24,31)7/h9,21-24,26,35,37H,10-19H2,1-8H3,(H,34,38)/t21-,22+,23-,24+,26-,30-,31+,32+,33-/m0/s1
    MOLECULAR FORMULA
    C33H53NO5
    CROSS REFERENCES
    779445 logo

    canSAR779445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.39
    AlogP 5.41
    HBond donors 3
    HBond acceptors 6
    Atoms 92
    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 canSAR779445.