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canSAR659720
FEATURES
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NAMES
    SMILES
    Cn1c(-c2ccccc2)c(-c2cn(CCCCC(=O)N3c4ccccc4Sc4ccccc43)nn2)c2cc(C(=O)O)c(O)cc21
    InChI
    InChI=1S/C35H29N5O4S/c1-38-28-20-29(41)24(35(43)44)19-23(28)33(34(38)22-11-3-2-4-12-22)25-21-39(37-36-25)18-10-9-17-32(42)40-26-13-5-7-15-30(26)45-31-16-8-6-14-27(31)40/h2-8,11-16,19-21,41H,9-10,17-18H2,1H3,(H,43,44)
    MOLECULAR FORMULA
    C35H29N5O4S
    CROSS REFERENCES
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    canSAR659720

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.19
    AlogP 7.51
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    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 canSAR659720.