744647 logo
canSAR744647
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)n1cnc2c(NCc3ccc(-c4cccc(F)c4)s3)nc(N[C@H]3CC[C@H](N)CC3)nc21.Cl
    InChI
    InChI=1S/C25H30FN7S.ClH/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-8-6-18(27)7-9-19)28-13-20-10-11-21(34-20)16-4-3-5-17(26)12-16;/h3-5,10-12,14-15,18-19H,6-9,13,27H2,1-2H3,(H2,28,30,31,32);1H/t18-,19-;
    MOLECULAR FORMULA
    C25H31ClFN7S
    CROSS REFERENCES
    744647 logo

    canSAR744647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.20
    AlogP 5.99
    HBond donors 4
    HBond acceptors 7
    Atoms 66
    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 canSAR744647.