canSAR824196
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C(F)(F)F)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C44H60F3NO10/c1-38(2)19-21-43(36(50)57-30-13-11-27(25-31(30)54-8)35(49)55-23-9-10-24-56-48(52)53)22-20-41(6)28(29(43)26-38)12-14-33-40(5)17-16-34(58-37(51)44(45,46)47)39(3,4)32(40)15-18-42(33,41)7/h11-13,25,29,32-34H,9-10,14-24,26H2,1-8H3/t29-,32-,33+,34-,40-,41+,42+,43-/m0/s1
    MOLECULAR FORMULA
    C44H60F3NO10
    CROSS REFERENCES
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    canSAR824196
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight819.42
    AlogP10.02
    HBond donors0
    HBond acceptors11
    Atoms118
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824196.