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canSAR1125667
FEATURES
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NAMES
    SMILES
    CC1=C2[C@H]3OC(=O)C4(C[C@H](c5cccc6ccccc56)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O
    InChI
    InChI=1S/C32H29NO4/c1-20-27(34)16-18-31(2)17-15-25-29(28(20)31)36-30(35)32(25)19-26(33(37-32)22-11-4-3-5-12-22)24-14-8-10-21-9-6-7-13-23(21)24/h3-14,16,18,25-26,29H,15,17,19H2,1-2H3/t25-,26-,29+,31+,32?/m1/s1
    MOLECULAR FORMULA
    C32H29NO4
    CROSS REFERENCES
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    canSAR1125667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.21
    AlogP 6.26
    HBond donors 0
    HBond acceptors 5
    Atoms 66
    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 canSAR1125667.