2048869 logo
canSAR2048869
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCn1cnc2ncncc21
    InChI
    InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1
    MOLECULAR FORMULA
    C31H38N6O3
    CROSS REFERENCES
    2048869 logo

    canSAR2048869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.30
    AlogP 5.55
    HBond donors 0
    HBond acceptors 9
    Atoms 78
    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 canSAR2048869.