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canSAR1589618
FEATURES
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NAMES
    SMILES
    CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1
    InChI
    InChI=1S/C35H52N2O7/c1-7-8-9-10-11-12-17-37-30-20-28(23(2)3)44-32(25-14-15-25)35(30,34(40)43-6)21-26(33(37)39)19-31(38)36-22-24-13-16-27(41-4)29(18-24)42-5/h13,16,18,20,23,25-26,28,32H,7-12,14-15,17,19,21-22H2,1-6H3,(H,36,38)/t26-,28+,32+,35+/m0/s1
    MOLECULAR FORMULA
    C35H52N2O7
    CROSS REFERENCES
    1589618 logo

    canSAR1589618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.38
    AlogP 5.80
    HBond donors 1
    HBond acceptors 9
    Atoms 96
    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 canSAR1589618.