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canSAR786336
FEATURES
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NAMES
    SMILES
    CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCC4=C3C)C(=O)C1(C)CC
    InChI
    InChI=1S/C35H40N4O4/c1-8-20-18(4)30-24(16-40)31-19(5)22(12-13-29(41)43-7)33(39-31)23-11-10-21-17(3)25(37-32(21)23)14-27-34(42)35(6,9-2)28(36-27)15-26(20)38-30/h14-16,19,22,36,38H,8-13H2,1-7H3/b27-14-,28-15-,31-24-/t19-,22-,35?/m0/s1
    MOLECULAR FORMULA
    C35H40N4O4
    CROSS REFERENCES
    786336 logo

    canSAR786336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.30
    AlogP 6.99
    HBond donors 2
    HBond acceptors 8
    Atoms 83
    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 canSAR786336.