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canSAR830704
FEATURES
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NAMES
    SMILES
    CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCn4cnc(-c5cccnc5)c4)/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
    InChI
    InChI=1S/C55H85N5O17/c1-13-44(64)74-43-27-46(66)70-33(4)26-41(63)40(59(11)22-16-23-60-30-39(57-31-60)38-17-15-21-56-29-38)18-19-42(73-36(7)62)32(3)25-37(20-24-61)51(52(43)69-12)77-54-49(67)48(58(9)10)50(34(5)72-54)76-47-28-55(8,68)53(35(6)71-47)75-45(65)14-2/h15,17-19,21,24,29-35,37,40-43,47-54,63,67-68H,13-14,16,20,22-23,25-28H2,1-12H3/b19-18+/t32-,33-,34-,35+,37+,40-,41+,42+,43-,47+,48-,49-,50-,51+,52+,53+,54+,55-/m1/s1
    MOLECULAR FORMULA
    C55H85N5O17
    CROSS REFERENCES
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    canSAR830704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1087.59
    AlogP 3.79
    HBond donors 3
    HBond acceptors 22
    Atoms 162
    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 canSAR830704.