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canSAR1205403
FEATURES
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NAMES
    SMILES
    C/N=C/C(C)(C)[C@@H]1CC[C@]2(C)[C@H](C(=O)C=C3[C@@H]4C[C@@](C)(C(=O)OC)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CC#N
    InChI
    InChI=1S/C32H48N2O3/c1-27(2,20-34-8)24-10-11-32(7)25(30(24,5)16-17-33)23(35)18-21-22-19-29(4,26(36)37-9)13-12-28(22,3)14-15-31(21,32)6/h18,20,22,24-25H,10-16,19H2,1-9H3/b34-20+/t22-,24-,25+,28+,29-,30-,31+,32+/m0/s1
    MOLECULAR FORMULA
    C32H48N2O3
    CROSS REFERENCES
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    canSAR1205403

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.37
    AlogP 6.96
    HBond donors 0
    HBond acceptors 5
    Atoms 85
    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 canSAR1205403.