745211 logo
canSAR745211
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    ClCCN(CCCl)c1ccc(Sc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
    InChI
    InChI=1S/C29H25Cl2N3S/c30-17-19-34(20-18-31)22-11-15-24(16-12-22)35-23-13-9-21(10-14-23)32-29-25-5-1-3-7-27(25)33-28-8-4-2-6-26(28)29/h1-16H,17-20H2,(H,32,33)
    MOLECULAR FORMULA
    C29H25Cl2N3S
    CROSS REFERENCES
    745211 logo

    canSAR745211

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.11
    AlogP 8.57
    HBond donors 1
    HBond acceptors 3
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR745211.