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canSAR1523119
FEATURES
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NAMES
    SMILES
    C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(Cc7ccc(CN=[N+]=[N-])cc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2
    InChI
    InChI=1S/C38H46N6O4/c1-23-11-14-38(47-21-23)24(2)35-33(48-38)16-31-29-10-9-27-15-32(45)34(17-37(27,4)30(29)12-13-36(31,35)3)46-22-28-20-44(43-41-28)19-26-7-5-25(6-8-26)18-40-42-39/h5-10,15,17,20,23-24,29-31,33,35H,11-14,16,18-19,21-22H2,1-4H3/t23-,24+,29-,30+,31+,33+,35+,36+,37+,38-/m1/s1
    MOLECULAR FORMULA
    C38H46N6O4
    CROSS REFERENCES
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    canSAR1523119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.36
    AlogP 7.47
    HBond donors 0
    HBond acceptors 10
    Atoms 94
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1523119.