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canSAR8312
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NAMES
    SMILES
    N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1
    InChI
    InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1
    MOLECULAR FORMULA
    C30H37N5O3S
    CROSS REFERENCES
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    canSAR8312

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.26
    AlogP 3.25
    HBond donors 5
    HBond acceptors 8
    Atoms 76
    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 canSAR8312.