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canSAR747940
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NAMES
    SMILES
    Cc1ccc(-c2ccc(CNc3nc(N[C@H]4CC[C@H](N)CC4)nc4c3ncn4C(C)C)cc2)s1
    InChI
    InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-11-9-20(27)10-12-21)28-14-18-5-7-19(8-6-18)22-13-4-17(3)34-22/h4-8,13,15-16,20-21H,9-12,14,27H2,1-3H3,(H2,28,30,31,32)/t20-,21-
    MOLECULAR FORMULA
    C26H33N7S
    CROSS REFERENCES
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    canSAR747940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.25
    AlogP 5.74
    HBond donors 4
    HBond acceptors 7
    Atoms 67
    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 canSAR747940.