canSAR215445
FEATURES
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NAMES
    SMILES
    Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cn5ccsc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1
    InChI
    InChI=1S/C29H33N9O4S/c1-34-15-19(22-18-38-8-11-43-29(38)33-22)12-23(34)27(40)31-21-14-25(36(3)17-21)28(41)32-20-13-24(35(2)16-20)26(39)30-4-5-37-6-9-42-10-7-37/h8,11-18H,4-7,9-10H2,1-3H3,(H,30,39)(H,31,40)(H,32,41)
    MOLECULAR FORMULA
    C29H33N9O4S
    CROSS REFERENCES
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    canSAR215445
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight603.24
    AlogP2.64
    HBond donors3
    HBond acceptors13
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR215445.