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canSAR780382
FEATURES
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NAMES
    SMILES
    CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2
    InChI
    InChI=1S/C27H39N3O/c1-4-21(5-2)30-17-18-15-25-23(22-12-9-13-24(30)26(18)22)14-19(16-29(25)3)27(31)28-20-10-7-6-8-11-20/h9,12-13,17,19-21,23,25H,4-8,10-11,14-16H2,1-3H3,(H,28,31)/t19-,23-,25-/m1/s1
    MOLECULAR FORMULA
    C27H39N3O
    CROSS REFERENCES
    780382 logo

    canSAR780382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.31
    AlogP 5.41
    HBond donors 1
    HBond acceptors 4
    Atoms 70
    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 canSAR780382.