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canSAR1445544
FEATURES
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NAMES
    SMILES
    CC(=O)N(C)C1CCN([C@H]2CC[C@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1
    InChI
    InChI=1S/C27H41N5O2S/c1-18-24-17-25(35-27(24)32(29-18)23-7-5-4-6-8-23)26(34)28-20-9-11-22(12-10-20)31-15-13-21(14-16-31)30(3)19(2)33/h17,20-23H,4-16H2,1-3H3,(H,28,34)/t20-,22-
    MOLECULAR FORMULA
    C27H41N5O2S
    CROSS REFERENCES
    1445544 logo

    canSAR1445544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.30
    AlogP 4.90
    HBond donors 1
    HBond acceptors 7
    Atoms 76
    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 canSAR1445544.