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canSAR781538
FEATURES
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NAMES
    SMILES
    CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)NC)N(Cc4ccc(C(=O)O)cc4)C(=O)O3)[C@H]21
    InChI
    InChI=1S/C34H46N2O7/c1-6-21(3)33(40)43-29-16-20(2)15-25-10-7-22(4)28(31(25)29)14-13-27-17-26(18-30(37)35-5)36(34(41)42-27)19-23-8-11-24(12-9-23)32(38)39/h7-12,15,20-22,26-29,31H,6,13-14,16-19H2,1-5H3,(H,35,37)(H,38,39)/t20-,21-,22-,26+,27+,28-,29-,31-/m0/s1
    MOLECULAR FORMULA
    C34H46N2O7
    CROSS REFERENCES
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    canSAR781538

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.33
    AlogP 5.74
    HBond donors 2
    HBond acceptors 9
    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 canSAR781538.