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canSAR1012638
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(NC(=O)CCN4CCOCC4)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C36H49N3O7/c1-6-34(4)20-28(35(5)22(2)9-12-36(23(3)31(34)42)13-10-27(40)30(35)36)46-33(44)39-21-24-7-8-25(19-26(24)32(39)43)37-29(41)11-14-38-15-17-45-18-16-38/h6-8,19,22-23,28,30-31,42H,1,9-18,20-21H2,2-5H3,(H,37,41)/t22-,23+,28-,30+,31+,34-,35+,36+/m1/s1
    MOLECULAR FORMULA
    C36H49N3O7
    CROSS REFERENCES
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    canSAR1012638

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.36
    AlogP 4.80
    HBond donors 2
    HBond acceptors 10
    Atoms 95
    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 canSAR1012638.