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canSAR501003
FEATURES
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NAMES
    SMILES
    CC(C)CNC(=O)[C@@H]1CN(C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O
    InChI
    InChI=1S/C40H51N5O6/c1-26(2)21-42-39(49)32-24-45(40(3,4)36-20-29-22-41-15-14-34(29)51-36)17-16-44(32)23-30(46)19-28(18-27-10-6-5-7-11-27)38(48)43-37-31-12-8-9-13-35(31)50-25-33(37)47/h5-15,20,22,26,28,30,32-33,37,46-47H,16-19,21,23-25H2,1-4H3,(H,42,49)(H,43,48)/t28-,30+,32+,33-,37+/m1/s1
    MOLECULAR FORMULA
    C40H51N5O6
    CROSS REFERENCES
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    canSAR501003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 697.38
    AlogP 4.04
    HBond donors 4
    HBond acceptors 11
    Atoms 102
    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 canSAR501003.