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canSAR500621
FEATURES
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NAMES
    SMILES
    N#CN/C(N)=N/Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5
    InChI
    InChI=1S/C29H30N6O3/c30-14-33-27(31)32-12-16-3-5-20-18(9-16)19-11-29(37)22-10-17-4-6-21(36)25-23(17)28(29,26(38-25)24(19)34-20)7-8-35(22)13-15-1-2-15/h3-6,9,15,22,26,34,36-37H,1-2,7-8,10-13H2,(H3,31,32,33)/t22?,26-,28-,29+/m0/s1
    MOLECULAR FORMULA
    C29H30N6O3
    CROSS REFERENCES
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    canSAR500621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.24
    AlogP 2.46
    HBond donors 6
    HBond acceptors 9
    Atoms 68
    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 canSAR500621.