canSAR1087604
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](OC(=O)NNC(=O)c3ccc(Cl)cc3)[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(C)[C@H](C)[C@@H](OC(=O)NCCc2ccccc2)[C@]1(C)O
    InChI
    InChI=1S/C55H86ClN5O15/c1-15-41-55(10,68)46(75-51(65)57-26-25-37-19-17-16-18-20-37)35(6)61(13)30-31(2)28-53(8,67)45(74-50-43(62)40(60(11)12)27-32(3)70-50)33(4)44(34(5)49(64)72-41)73-42-29-54(9,69-14)47(36(7)71-42)76-52(66)59-58-48(63)38-21-23-39(56)24-22-38/h16-24,31-36,40-47,50,62,67-68H,15,25-30H2,1-14H3,(H,57,65)(H,58,63)(H,59,66)/t31-,32-,33+,34-,35-,36+,40+,41-,42+,43-,44+,45-,46-,47+,50+,53-,54-,55-/m1/s1
    MOLECULAR FORMULA
    C55H86ClN5O15
    CROSS REFERENCES
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    canSAR1087604
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1091.58
    AlogP5.61
    HBond donors6
    HBond acceptors20
    Atoms162
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087604.