canSAR2080068
FEATURES
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NAMES
    SMILES
    COc1ccc(C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
    InChI
    InChI=1S/C29H29N5OS/c1-18-9-10-24(35-3)23(15-18)25-19(2)36-27-26(25)33-28(21-11-13-31-14-12-21)34-29(27)32-17-22(30)16-20-7-5-4-6-8-20/h4-15,22H,16-17,30H2,1-3H3,(H,32,33,34)/t22-/m0/s1
    MOLECULAR FORMULA
    C29H29N5OS
    CROSS REFERENCES
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    canSAR2080068
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight495.21
    AlogP6.03
    HBond donors3
    HBond acceptors6
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080068.