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canSAR497957
FEATURES
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NAMES
    SMILES
    O=C(CCC(=O)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3
    InChI
    InChI=1S/C46H62N4O2/c51-43(47-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-49(41)29-31-7-5-8-31)17-18-44(52)48-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-50(42)30-32-9-6-10-32/h13-16,27-28,31-32,37-38,41-42H,1-12,17-26,29-30H2,(H,47,51)(H,48,52)/t37?,38?,41-,42-,45-,46-/m1/s1
    MOLECULAR FORMULA
    C46H62N4O2
    CROSS REFERENCES
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    canSAR497957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 702.49
    AlogP 8.76
    HBond donors 2
    HBond acceptors 6
    Atoms 114
    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 canSAR497957.