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canSAR504248
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NAMES
    SMILES
    O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C3c4ccccc4C(c4ccccc43)C2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
    InChI
    InChI=1S/C45H45N3O5/c49-41(47-31-16-14-30(15-17-31)44(52)53)36(21-26-8-2-1-3-9-26)48-43(51)40-38-34-12-6-4-10-32(34)37(33-11-5-7-13-35(33)38)39(40)42(50)46-25-45-22-27-18-28(23-45)20-29(19-27)24-45/h1-17,27-29,36-40H,18-25H2,(H,46,50)(H,47,49)(H,48,51)(H,52,53)/t27?,28?,29?,36-,37?,38?,39?,40?,45?/m0/s1
    MOLECULAR FORMULA
    C45H45N3O5
    CROSS REFERENCES
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    canSAR504248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 707.34
    AlogP 6.91
    HBond donors 4
    HBond acceptors 8
    Atoms 98
    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 canSAR504248.