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canSAR1000556
FEATURES
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NAMES
    SMILES
    C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)nc(NO)nc21
    InChI
    InChI=1S/C32H26ClN5O8/c1-32(46-29(41)21-15-9-4-10-16-21)24(45-28(40)20-13-7-3-8-14-20)22(17-43-27(39)19-11-5-2-6-12-19)44-30(32)38-18-34-23-25(33)35-31(37-42)36-26(23)38/h2-16,18,22,24,30,42H,17H2,1H3,(H,35,36,37)/t22-,24-,30-,32-/m1/s1
    MOLECULAR FORMULA
    C32H26ClN5O8
    CROSS REFERENCES
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    canSAR1000556

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 643.15
    AlogP 4.88
    HBond donors 2
    HBond acceptors 13
    Atoms 72
    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 canSAR1000556.