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canSAR1015410
FEATURES
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NAMES
    SMILES
    C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)COC(=O)c5ccncc5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12
    InChI
    InChI=1S/C37H49NO6/c1-23(21-43-33(41)26-12-18-38-19-13-26)8-7-9-24(2)27-10-14-35(5)29-20-28-31(25(3)32(40)44-28)37(15-11-30(39)42-6)22-36(29,37)17-16-34(27,35)4/h8,12-13,18-19,24,27-29,31H,3,7,9-11,14-17,20-22H2,1-2,4-6H3/b23-8+/t24-,27-,28-,29+,31-,34-,35+,36+,37-/m1/s1
    MOLECULAR FORMULA
    C37H49NO6
    CROSS REFERENCES
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    canSAR1015410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.36
    AlogP 7.26
    HBond donors 0
    HBond acceptors 7
    Atoms 93
    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 canSAR1015410.