1637445 logo
canSAR1637445
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O.O=C(O)c1ccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1
    InChI
    InChI=1S/C31H38N4O3.H2O/c36-30-29(32-20-21-12-14-22(15-13-21)31(37)38)33-27-10-6-7-11-28(27)35(30)26-18-24-16-17-25(19-26)34(24)23-8-4-2-1-3-5-9-23;/h6-7,10-15,23-26H,1-5,8-9,16-20H2,(H,32,33)(H,37,38);1H2/t24-,25+,26+;
    MOLECULAR FORMULA
    C31H40N4O4
    CROSS REFERENCES
    1637445 logo

    canSAR1637445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.30
    AlogP 5.16
    HBond donors 4
    HBond acceptors 8
    Atoms 79
    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 canSAR1637445.