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canSAR2048398
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C/C(=C\c6ccc(Cl)cc6)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C
    InChI
    InChI=1S/C37H49ClO3/c1-22-14-17-37(32(40)41)19-18-35(6)27(30(37)23(22)2)12-13-29-34(5)21-25(20-24-8-10-26(38)11-9-24)31(39)33(3,4)28(34)15-16-36(29,35)7/h8-12,20,22-23,28-30H,13-19,21H2,1-7H3,(H,40,41)/b25-20+/t22-,23+,28+,29-,30+,34+,35-,36-,37+/m1/s1
    MOLECULAR FORMULA
    C37H49ClO3
    CROSS REFERENCES
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    canSAR2048398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.34
    AlogP 9.64
    HBond donors 1
    HBond acceptors 3
    Atoms 90
    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 canSAR2048398.