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canSAR1446208
FEATURES
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NAMES
    SMILES
    CC1=C[C@@H](C(=O)NC[C@H]2CC[C@H](C(=N)N)CC2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1
    InChI
    InChI=1S/C30H36N6O3/c1-20-16-26(28(37)33-17-21-12-14-24(15-13-21)27(31)32)36-30(39)34(29(38)35(36)18-20)19-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16,21,24-26H,12-15,17-19H2,1H3,(H3,31,32)(H,33,37)/t21?,24?,26-/m0/s1
    MOLECULAR FORMULA
    C30H36N6O3
    CROSS REFERENCES
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    canSAR1446208

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.28
    AlogP 3.00
    HBond donors 4
    HBond acceptors 9
    Atoms 75
    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 canSAR1446208.