916288 logo
canSAR916288
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H](CCCO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OCCCN)[C@@]21C)[C@@]1(C)CC[C@@H](OCCCN)C[C@H]1C[C@H]3OCCCN
    InChI
    InChI=1S/C33H63N3O4/c1-23(8-4-16-37)26-9-10-27-31-28(22-30(33(26,27)3)40-19-7-15-36)32(2)12-11-25(38-17-5-13-34)20-24(32)21-29(31)39-18-6-14-35/h23-31,37H,4-22,34-36H2,1-3H3/t23-,24+,25-,26-,27+,28+,29-,30+,31+,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H63N3O4
    CROSS REFERENCES
    916288 logo

    canSAR916288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.48
    AlogP 4.48
    HBond donors 7
    HBond acceptors 7
    Atoms 103
    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 canSAR916288.