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canSAR913614
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@@H]2C[C@@](C)(O)C(=O)N2CCCc2cc(OC)cc(OC)c2)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C38H55NO6/c1-24(17-29-23-38(4,43)36(42)39(29)16-8-9-26-18-31(44-5)22-32(19-26)45-6)33-13-14-34-27(10-7-15-37(33,34)3)11-12-28-20-30(40)21-35(41)25(28)2/h11-12,18-19,22,24,29-30,33-35,40-41,43H,2,7-10,13-17,20-21,23H2,1,3-6H3/b27-11+,28-12-/t24-,29-,30-,33-,34+,35+,37-,38-/m1/s1
    MOLECULAR FORMULA
    C38H55NO6
    CROSS REFERENCES
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    canSAR913614

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.40
    AlogP 6.16
    HBond donors 3
    HBond acceptors 7
    Atoms 100
    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 canSAR913614.