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canSAR1059748
FEATURES
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NAMES
    SMILES
    C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cn1ccnn1)C(=O)NCC(C)C
    InChI
    InChI=1S/C37H58N6O6/c1-25(2)23-38-34(46)26(3)19-32(44)30(20-27-13-9-7-10-14-27)40-35(47)29(24-43-18-17-39-42-43)22-33(45)31(21-28-15-11-8-12-16-28)41-36(48)49-37(4,5)6/h8,11-12,15-18,25,27,29-33,44-45H,3,7,9-10,13-14,19-24H2,1-2,4-6H3,(H,38,46)(H,40,47)(H,41,48)/t29-,30-,31-,32-,33+/m0/s1
    MOLECULAR FORMULA
    C37H58N6O6
    CROSS REFERENCES
    1059748 logo

    canSAR1059748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 682.44
    AlogP 4.32
    HBond donors 5
    HBond acceptors 12
    Atoms 107
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1059748.