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canSAR1270462
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]1(C)[C@H](OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C
    InChI
    InChI=1S/C50H64ClNO6/c1-29-19-22-46(4)25-26-48(6)37(43(46)30(29)2)16-18-39-47(5)23-21-41(50(8,45(55)57-10)40(47)20-24-49(39,48)7)58-42(53)28-35-31(3)52(38-17-15-34(56-9)27-36(35)38)44(54)32-11-13-33(51)14-12-32/h11-17,27,29-30,39-41,43H,18-26,28H2,1-10H3/t29-,30+,39-,40-,41-,43+,46-,47-,48-,49-,50-/m1/s1
    MOLECULAR FORMULA
    C50H64ClNO6
    CROSS REFERENCES
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    canSAR1270462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 809.44
    AlogP 11.59
    HBond donors 0
    HBond acceptors 7
    Atoms 122
    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 canSAR1270462.