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canSAR831136
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)N/N=C/c1cc2ccccc2[nH]1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
    InChI
    InChI=1S/C33H47N3O4/c1-19(8-11-30(40)36-34-18-22-14-20-6-4-5-7-27(20)35-22)24-9-10-25-31-26(17-29(39)33(24,25)3)32(2)13-12-23(37)15-21(32)16-28(31)38/h4-7,14,18-19,21,23-26,28-29,31,35,37-39H,8-13,15-17H2,1-3H3,(H,36,40)/b34-18+/t19-,21+,23-,24-,25+,26+,28-,29+,31+,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H47N3O4
    CROSS REFERENCES
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    canSAR831136

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.36
    AlogP 5.00
    HBond donors 5
    HBond acceptors 7
    Atoms 87
    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 canSAR831136.