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canSAR833993
FEATURES
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NAMES
    SMILES
    CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cc[nH]n2)NC(=O)[C@@H](CC(=O)N2CCOCC2)Cc2ccccc2)OC1=O
    InChI
    InChI=1S/C35H50N6O7/c1-2-40-23-30(48-35(40)46)32(43)28(20-25-11-7-4-8-12-25)37-34(45)29(22-27-13-14-36-39-27)38-33(44)26(19-24-9-5-3-6-10-24)21-31(42)41-15-17-47-18-16-41/h3,5-6,9-10,13-14,25-26,28-30,32,43H,2,4,7-8,11-12,15-23H2,1H3,(H,36,39)(H,37,45)(H,38,44)/t26-,28+,29+,30+,32-/m1/s1
    MOLECULAR FORMULA
    C35H50N6O7
    CROSS REFERENCES
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    canSAR833993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 666.37
    AlogP 2.20
    HBond donors 4
    HBond acceptors 13
    Atoms 98
    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 canSAR833993.