canSAR385566
FEATURES
Loading...
NAMES
    SMILES
    COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3SC)CC2)NC#N)c1
    InChI
    InChI=1S/C33H41N7O4S/c1-21-28(31(41)43-3)30(29(22(2)38-21)32(42)44-4)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)45-5/h6-12,19,24,30,35,41H,13-18H2,1-5H3,(H2,36,37,39)/b31-28+
    MOLECULAR FORMULA
    C33H41N7O4S
    CROSS REFERENCES
    Loading...
    canSAR385566
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight631.29
    AlogP4.93
    HBond donors4
    HBond acceptors11
    Atoms86
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR385566.