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canSAR1594397
FEATURES
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NAMES
    SMILES
    CC(=O)C1CCCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1
    InChI
    InChI=1S/C21H31N5O3S/c1-15(27)17-4-3-11-26(12-17)30(28,29)13-16-5-7-18(8-6-16)25(2)21-19-9-10-22-20(19)23-14-24-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,22,23,24)/t16-,17?,18-
    MOLECULAR FORMULA
    C21H31N5O3S
    CROSS REFERENCES
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    canSAR1594397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.21
    AlogP 2.58
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR1594397.