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canSAR786060
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CC(NC)C5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C39H58N8O5S/c1-7-37(4)18-28(38(5)23(2)8-13-39(24(3)33(37)51)14-9-27(48)32(38)39)52-30(50)21-53-26-10-15-45(16-11-26)29(49)12-17-46-22-42-31-34(46)43-36(40)44-35(31)47-19-25(20-47)41-6/h7,22-26,28,32-33,41,51H,1,8-21H2,2-6H3,(H2,40,43,44)/t23-,24+,28-,32-,33+,37-,38+,39+/m1/s1
    MOLECULAR FORMULA
    C39H58N8O5S
    CROSS REFERENCES
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    canSAR786060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 750.43
    AlogP 3.84
    HBond donors 4
    HBond acceptors 13
    Atoms 111
    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 canSAR786060.