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canSAR1829086
FEATURES
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NAMES
    SMILES
    O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3
    InChI
    InChI=1S/C44H56N4O5/c49-39(45-27-43-24-29-18-30(25-43)20-31(19-29)26-43)23-33-21-36(42(51)47-13-16-52-17-14-47)44(11-9-28-4-1-2-5-28)40-35(10-12-48(44)41(33)50)34-8-7-32(22-37(34)46-40)38-6-3-15-53-38/h3,6-8,15,22,28-31,33,36,46H,1-2,4-5,9-14,16-21,23-27H2,(H,45,49)/t29-,30+,31-,33-,36-,43?,44+/m1/s1
    MOLECULAR FORMULA
    C44H56N4O5
    CROSS REFERENCES
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    canSAR1829086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 720.43
    AlogP 7.20
    HBond donors 2
    HBond acceptors 9
    Atoms 109
    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 canSAR1829086.