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canSAR1155531
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)OCCCCCCCCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C39H64O5/c1-34(2)21-23-39(33(43)44-25-13-11-9-8-10-12-14-32(41)42)24-22-37(6)27(28(39)26-34)15-16-30-36(5)19-18-31(40)35(3,4)29(36)17-20-38(30,37)7/h15,28-31,40H,8-14,16-26H2,1-7H3,(H,41,42)/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
    MOLECULAR FORMULA
    C39H64O5
    CROSS REFERENCES
    1155531 logo

    canSAR1155531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.48
    AlogP 9.51
    HBond donors 2
    HBond acceptors 5
    Atoms 108
    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 canSAR1155531.