canSAR824522
FEATURES
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NAMES
    SMILES
    CC1CC[C@@]2(OC1)OC1CC3C4CC[C@H]5C[C@@H](OC6OC(COC(=O)Nc7c(Cl)cccc7Cl)C(OC7OC(COC(=O)Nc8c(Cl)cccc8Cl)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)C4C(=O)C[C@]3(C)C1[C@@H]2C
    InChI
    InChI=1S/C53H68Cl4N2O16/c1-23-13-16-53(70-20-23)24(2)37-34(75-53)18-28-27-12-11-25-17-26(14-15-51(25,3)38(27)33(60)19-52(28,37)4)71-47-45(65)43(63)46(36(73-47)22-69-50(67)59-40-31(56)9-6-10-32(40)57)74-48-44(64)42(62)41(61)35(72-48)21-68-49(66)58-39-29(54)7-5-8-30(39)55/h5-10,23-28,34-38,41-48,61-65H,11-22H2,1-4H3,(H,58,66)(H,59,67)/t23?,24-,25-,26-,27?,28?,34?,35?,36?,37?,38?,41?,42?,43?,44?,45?,46?,47?,48?,51-,52-,53+/m0/s1
    MOLECULAR FORMULA
    C53H68Cl4N2O16
    CROSS REFERENCES
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    canSAR824522
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1128.33
    AlogP7.75
    HBond donors7
    HBond acceptors18
    Atoms143
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824522.