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canSAR1018081
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)OCc4ccc(-n5cccn5)cc4)CC[C@]3(C)CC[C@]21C
    InChI
    InChI=1S/C40H54N2O4/c1-35(2)31-13-16-40(7)33(38(31,5)15-14-32(35)44)30(43)23-28-29-24-37(4,18-17-36(29,3)19-20-39(28,40)6)34(45)46-25-26-9-11-27(12-10-26)42-22-8-21-41-42/h8-12,21-23,29,31-33,44H,13-20,24-25H2,1-7H3/t29-,31-,32-,33+,36+,37-,38-,39+,40+/m0/s1
    MOLECULAR FORMULA
    C40H54N2O4
    CROSS REFERENCES
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    canSAR1018081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 626.41
    AlogP 8.26
    HBond donors 1
    HBond acceptors 6
    Atoms 100
    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 canSAR1018081.