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canSAR1769397
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NAMES
    SMILES
    CCCNc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4sc(NC(=O)CC)nc4C)cc3)C2)c1OC
    InChI
    InChI=1S/C28H37N7O4S/c1-6-13-29-25-23(38-5)26(31-16-30-25)35-14-12-21(15-35)39-20-10-8-19(9-11-20)17(3)32-27(37)24-18(4)33-28(40-24)34-22(36)7-2/h8-11,16-17,21H,6-7,12-15H2,1-5H3,(H,32,37)(H,29,30,31)(H,33,34,36)/t17-,21+/m0/s1
    MOLECULAR FORMULA
    C28H37N7O4S
    CROSS REFERENCES
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    canSAR1769397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.26
    AlogP 4.57
    HBond donors 3
    HBond acceptors 11
    Atoms 77
    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 canSAR1769397.