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canSAR1012961
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCN4CCN(C)CC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C37H53N3O6/c1-7-35(4)23-30(36(5)24(2)10-13-37(25(3)32(35)42)14-11-29(41)31(36)37)46-34(44)40-15-12-26-22-27(8-9-28(26)33(40)43)45-21-20-39-18-16-38(6)17-19-39/h7-9,22,24-25,30-32,42H,1,10-21,23H2,2-6H3/t24-,25+,30-,31+,32+,35-,36+,37+/m1/s1
    MOLECULAR FORMULA
    C37H53N3O6
    CROSS REFERENCES
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    canSAR1012961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.39
    AlogP 4.81
    HBond donors 1
    HBond acceptors 9
    Atoms 99
    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 canSAR1012961.