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canSAR790943
FEATURES
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NAMES
    SMILES
    Cc1ccnc2c(NC(=O)[C@H]3CC[C@H](CN4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)CC3)cccc12
    InChI
    InChI=1S/C27H29N3O3/c1-15-11-12-28-24-20(15)3-2-4-21(24)29-25(31)17-7-5-16(6-8-17)14-30-26(32)22-18-9-10-19(13-18)23(22)27(30)33/h2-4,9-12,16-19,22-23H,5-8,13-14H2,1H3,(H,29,31)/t16-,17-,18-,19+,22-,23+
    MOLECULAR FORMULA
    C27H29N3O3
    CROSS REFERENCES
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    canSAR790943

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.22
    AlogP 4.10
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR790943.