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canSAR1145508
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)c1cc2cc(O)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
    InChI
    InChI=1S/C29H31N5O5S/c1-15(2)11-22(33-28(39)23-14-17-12-18(35)7-8-19(17)31-23)27(38)32-21(13-16-9-10-30-26(16)37)25(36)29-34-20-5-3-4-6-24(20)40-29/h3-8,12,14-16,21-22,31,35H,9-11,13H2,1-2H3,(H,30,37)(H,32,38)(H,33,39)/t16-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C29H31N5O5S
    CROSS REFERENCES
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    canSAR1145508

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.20
    AlogP 3.52
    HBond donors 5
    HBond acceptors 10
    Atoms 71
    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 canSAR1145508.