canSAR1087626
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C60H103N3O15/c1-16-45-60(12,72)50(67)36(6)63(25-17-24-61-53(69)42-21-20-41-40-19-18-38-27-39(64)22-23-56(38,8)47(40)44(65)29-57(41,42)9)31-32(2)28-58(10,71)52(78-55-48(66)43(62(13)14)26-33(3)74-55)34(4)49(35(5)54(70)76-45)77-46-30-59(11,73-15)51(68)37(7)75-46/h27,32-37,40-52,55,65-68,71-72H,16-26,28-31H2,1-15H3,(H,61,69)/t32-,33-,34+,35-,36-,37+,40+,41+,42-,43+,44+,45-,46+,47-,48-,49+,50-,51+,52-,55+,56+,57+,58-,59-,60-/m1/s1
    MOLECULAR FORMULA
    C60H103N3O15
    CROSS REFERENCES
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    canSAR1087626
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1105.74
    AlogP4.90
    HBond donors7
    HBond acceptors18
    Atoms181
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087626.