1829110 logo
canSAR1829110
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C[N+]56CCN(CC5)CC6)CC[C@]4(C)[C@H]3CC[C@@]21C.[Cl-]
    InChI
    InChI=1S/C33H55N2O4.ClH/c1-23(5-10-30(36)38-4)27-8-9-28-26-7-6-24-21-25(11-13-32(24,2)29(26)12-14-33(27,28)3)39-31(37)22-35-18-15-34(16-19-35)17-20-35;/h23-29H,5-22H2,1-4H3;1H/q+1;/p-1/t23-,24-,25-,26+,27-,28+,29+,32+,33-;/m1./s1
    MOLECULAR FORMULA
    C33H55ClN2O4
    CROSS REFERENCES
    1829110 logo

    canSAR1829110

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.39
    AlogP 2.30
    HBond donors 0
    HBond acceptors 6
    Atoms 95
    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 canSAR1829110.