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canSAR1021384
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1
    InChI
    InChI=1S/C25H35NO3/c1-23-11-10-21(27)22(28)20(23)7-6-17-18(23)8-12-24(2)19(17)9-13-25(24,29)15-16-5-3-4-14-26-16/h3-5,7,14,17-19,21-22,27-29H,6,8-13,15H2,1-2H3/t17-,18+,19+,21+,22+,23-,24+,25-/m1/s1
    MOLECULAR FORMULA
    C25H35NO3
    CROSS REFERENCES
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    canSAR1021384

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.26
    AlogP 3.65
    HBond donors 3
    HBond acceptors 4
    Atoms 64
    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 canSAR1021384.