560310 logo
canSAR560310
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O
    InChI
    InChI=1S/C39H46N6O3/c40-21-9-8-16-35(36(46)41-25-27-10-2-1-3-11-27)45-26-34-30(29-13-5-7-15-32(29)42-34)24-33(37(45)47)43-38(48)44-22-19-39(20-23-44)18-17-28-12-4-6-14-31(28)39/h1-7,10-15,33,35,42H,8-9,16-26,40H2,(H,41,46)(H,43,48)/t33-,35+/m1/s1
    MOLECULAR FORMULA
    C39H46N6O3
    CROSS REFERENCES
    560310 logo

    canSAR560310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 646.36
    AlogP 4.92
    HBond donors 5
    HBond acceptors 9
    Atoms 94
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560310.