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canSAR467014
FEATURES
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NAMES
    SMILES
    Cc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1
    InChI
    InChI=1S/C30H40N2O4/c1-23-16-17-31-21-26(23)25-12-10-24(11-13-25)22-36-28-15-14-27(32-18-6-2-3-7-19-32)30(28)35-20-8-4-5-9-29(33)34/h4,8,10-13,16-17,21,27-28,30H,2-3,5-7,9,14-15,18-20,22H2,1H3,(H,33,34)/b8-4-/t27-,28+,30+/m0/s1
    MOLECULAR FORMULA
    C30H40N2O4
    CROSS REFERENCES
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    canSAR467014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.30
    AlogP 5.79
    HBond donors 1
    HBond acceptors 6
    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 canSAR467014.