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canSAR1526536
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NAMES
    SMILES
    CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C30H30N2O5.C2HF3O2/c1-4-32-27(33)24-25(28(32)34)30(29(35)37-3,18-19-8-6-5-7-9-19)31-26(24)22-12-10-20(11-13-22)21-14-16-23(36-2)17-15-21;3-2(4,5)1(6)7/h5-17,24-26,31H,4,18H2,1-3H3;(H,6,7)/t24-,25-,26-,30-;/m1./s1
    MOLECULAR FORMULA
    C32H31F3N2O7
    CROSS REFERENCES
    1526536 logo

    canSAR1526536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.21
    AlogP 4.42
    HBond donors 2
    HBond acceptors 9
    Atoms 75
    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 canSAR1526536.