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canSAR46832
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)C(=O)NCc1ccccc1
    InChI
    InChI=1S/C29H42N8O2/c30-23(12-22-17-35-27(36-22)29-13-19-9-20(14-29)11-21(10-19)15-29)25(38)37-24(7-4-8-33-28(31)32)26(39)34-16-18-5-2-1-3-6-18/h1-3,5-6,17,19-21,23-24H,4,7-16,30H2,(H,34,39)(H,35,36)(H,37,38)(H4,31,32,33)/t19?,20?,21?,23-,24-,29?/m0/s1
    MOLECULAR FORMULA
    C29H42N8O2
    CROSS REFERENCES
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    canSAR46832

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.34
    AlogP 1.81
    HBond donors 9
    HBond acceptors 10
    Atoms 81
    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 canSAR46832.