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canSAR784080
FEATURES
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NAMES
    SMILES
    CCCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@H]4[C@](C)(C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@@H](O)C[C@H]2OC[C@]24OC(C)=O)cc1
    InChI
    InChI=1S/C50H57NO14/c1-8-15-30-20-22-32(23-21-30)44(57)51-38(31-16-11-9-12-17-31)39(55)46(59)63-34-25-50(60)43(64-45(58)33-18-13-10-14-19-33)41-48(7,35(54)24-36-49(41,26-61-36)65-29(4)53)42(56)40(62-28(3)52)37(27(34)2)47(50,5)6/h9-14,16-23,34-36,38-41,43,54-55,60H,8,15,24-26H2,1-7H3,(H,51,57)/t34-,35-,36+,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1
    MOLECULAR FORMULA
    C50H57NO14
    CROSS REFERENCES
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    canSAR784080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 895.38
    AlogP 4.69
    HBond donors 4
    HBond acceptors 15
    Atoms 122
    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 canSAR784080.