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canSAR1207521
FEATURES
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NAMES
    SMILES
    CCO[C@]12C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)C(C)C)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@H]2OC
    InChI
    InChI=1S/C38H54ClN3O10/c1-12-49-38-20-28(50-36(46)40-38)23(5)33-37(7,52-33)30(51-35(45)24(6)41(8)34(44)21(2)3)19-31(43)42(9)26-17-25(18-27(47-10)32(26)39)16-22(4)14-13-15-29(38)48-11/h13-15,17-18,21,23-24,28-30,33H,12,16,19-20H2,1-11H3,(H,40,46)/b15-13+,22-14+/t23-,24+,28+,29-,30+,33+,37+,38+/m1/s1
    MOLECULAR FORMULA
    C38H54ClN3O10
    CROSS REFERENCES
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    canSAR1207521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 747.35
    AlogP 5.21
    HBond donors 1
    HBond acceptors 13
    Atoms 106
    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 canSAR1207521.