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canSAR501310
FEATURES
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NAMES
    SMILES
    CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)C1
    InChI
    InChI=1S/C36H52N4O3/c1-28(2)20-24-40(31-16-18-33(19-17-31)43-27-30-13-8-7-9-14-30)32-15-12-23-39(26-32)35(41)34(25-29(3)4)37-36(42)38-21-10-5-6-11-22-38/h7-9,13-14,16-20,29,32,34H,5-6,10-12,15,21-27H2,1-4H3,(H,37,42)/t32?,34-/m0/s1
    MOLECULAR FORMULA
    C36H52N4O3
    CROSS REFERENCES
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    canSAR501310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.40
    AlogP 7.03
    HBond donors 1
    HBond acceptors 7
    Atoms 95
    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 canSAR501310.