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canSAR1014554
FEATURES
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NAMES
    SMILES
    C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ccc2ccccc2n1
    InChI
    InChI=1S/C35H37NO6S/c1-33-15-13-23(37)18-22(33)10-11-24-25-14-16-35(34(25,2)19-27(38)31(24)33,42-32(40)28-8-5-17-41-28)29(39)20-43-30-12-9-21-6-3-4-7-26(21)36-30/h3-9,12,17-18,24-25,27,31,38H,10-11,13-16,19-20H2,1-2H3/t24-,25-,27-,31+,33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C35H37NO6S
    CROSS REFERENCES
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    canSAR1014554

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.23
    AlogP 6.59
    HBond donors 1
    HBond acceptors 7
    Atoms 80
    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 canSAR1014554.