canSAR825717
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(NC)CC5)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/C41H62N8O5S/c1-7-39(4)22-30(40(5)25(2)8-15-41(26(3)35(39)53)16-9-29(50)34(40)41)54-32(52)23-55-28-12-19-47(20-13-28)31(51)14-21-49-24-44-33-36(45-38(42)46-37(33)49)48-17-10-27(43-6)11-18-48/h7,24-28,30,34-35,43,53H,1,8-23H2,2-6H3,(H2,42,45,46)/t25-,26+,30-,34-,35+,39-,40+,41+/m1/s1
    MOLECULAR FORMULA
    C41H62N8O5S
    CROSS REFERENCES
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    canSAR825717
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight778.46
    AlogP4.62
    HBond donors4
    HBond acceptors13
    Atoms117
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR825717.