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canSAR1951172
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)CC1
    InChI
    InChI=1S/C27H28N4O4S/c1-27(2,3)35-26(33)28-19-12-9-17(10-13-19)23-30-31-24(34-23)22(32)25-29-20-14-11-18(15-21(20)36-25)16-7-5-4-6-8-16/h4-8,11,14-15,17,19H,9-10,12-13H2,1-3H3,(H,28,33)/t17-,19-
    MOLECULAR FORMULA
    C27H28N4O4S
    CROSS REFERENCES
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    canSAR1951172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.18
    AlogP 6.13
    HBond donors 1
    HBond acceptors 8
    Atoms 64
    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 canSAR1951172.