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canSAR1143336
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c3nc4ccccc4s3)c(C)c2c1
    InChI
    InChI=1S/C31H35N5O5S/c1-16(2)13-24(35-30(40)26-17(3)20-15-19(41-4)9-10-21(20)33-26)29(39)34-23(14-18-11-12-32-28(18)38)27(37)31-36-22-7-5-6-8-25(22)42-31/h5-10,15-16,18,23-24,33H,11-14H2,1-4H3,(H,32,38)(H,34,39)(H,35,40)/t18-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C31H35N5O5S
    CROSS REFERENCES
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    canSAR1143336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.24
    AlogP 4.13
    HBond donors 4
    HBond acceptors 10
    Atoms 77
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143336.