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canSAR1828905
FEATURES
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NAMES
    SMILES
    CO[C@@H]1CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1
    InChI
    InChI=1S/C19H29N5O3S/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-28(25,26)24-10-8-16(11-24)27-2/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/m1/s1
    MOLECULAR FORMULA
    C19H29N5O3S
    CROSS REFERENCES
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    canSAR1828905

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.20
    AlogP 2.00
    HBond donors 1
    HBond acceptors 8
    Atoms 57
    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 canSAR1828905.