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canSAR1863973
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NAMES
    SMILES
    CCCCN1C(=N)N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC
    InChI
    InChI=1S/C31H53N7/c1-5-8-18-36-29(24(4)7-3)23-38(31(36)33)27(13-6-2)21-35-17-12-16-26(35)22-37-28(20-34-30(37)32)19-25-14-10-9-11-15-25/h9-11,14-15,24,26-29,33H,5-8,12-13,16-23H2,1-4H3,(H2,32,34)/t24-,26+,27+,28+,29+/m1/s1
    MOLECULAR FORMULA
    C31H53N7
    CROSS REFERENCES
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    canSAR1863973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 523.44
    AlogP 4.63
    HBond donors 3
    HBond acceptors 7
    Atoms 91
    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 canSAR1863973.