1266978 logo
canSAR1266978
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCN(Cc1ccccc1)C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O
    InChI
    InChI=1S/C39H48N4O2S/c1-2-3-23-41(28-32-13-6-4-7-14-32)29-35(44)30-42-31-43(34-16-8-5-9-17-34)39(38(42)45)21-25-40(26-22-39)24-20-33-15-10-11-18-36(33)37-19-12-27-46-37/h4-19,27,35,44H,2-3,20-26,28-31H2,1H3/t35-/m0/s1
    MOLECULAR FORMULA
    C39H48N4O2S
    CROSS REFERENCES
    1266978 logo

    canSAR1266978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.35
    AlogP 6.76
    HBond donors 1
    HBond acceptors 6
    Atoms 94
    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 canSAR1266978.