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canSAR1442235
FEATURES
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NAMES
    SMILES
    Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)ccc21
    InChI
    InChI=1S/C39H37N5O8/c1-44-31-18-17-26(19-28(31)34(47)33(39(44)52)38(51)41-23-32(45)46)22-40-36(49)29(20-24-11-5-2-6-12-24)43-37(50)30(21-25-13-7-3-8-14-25)42-35(48)27-15-9-4-10-16-27/h2-19,29-30,47H,20-23H2,1H3,(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)/t29-,30-/m1/s1
    MOLECULAR FORMULA
    C39H37N5O8
    CROSS REFERENCES
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    canSAR1442235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.26
    AlogP 2.44
    HBond donors 6
    HBond acceptors 13
    Atoms 89
    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 canSAR1442235.