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canSAR1067653
FEATURES
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NAMES
    SMILES
    O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C44H56N4O3/c49-41(30-44(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-23-11-4-12-24-38)47-28-15-26-40(47)43(51)48-29-14-25-39(48)42(50)45-31-35-18-13-27-46(33-35)32-34-16-5-1-6-17-34/h2-4,7-12,19-24,34-35,39-40H,1,5-6,13-18,25-33H2,(H,45,50)/t35-,39-,40+/m1/s1
    MOLECULAR FORMULA
    C44H56N4O3
    CROSS REFERENCES
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    canSAR1067653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.44
    AlogP 6.80
    HBond donors 1
    HBond acceptors 7
    Atoms 107
    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 canSAR1067653.