743222 logo
canSAR743222
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCC(=N)N)n(C)c6)n(C)c5)n(C)c4)cn3C)cn2C)cc1C(=O)NCCC(=N)N
    InChI
    InChI=1S/C66H96N18O8/c1-79-41-47(35-51(79)61(87)71-31-29-57(67)68)75-65(91)55-37-49(43-83(55)5)77-63(89)53-33-45(39-81(53)3)73-59(85)27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-60(86)74-46-34-54(82(4)40-46)64(90)78-50-38-56(84(6)44-50)66(92)76-48-36-52(80(2)42-48)62(88)72-32-30-58(69)70/h33-44H,7-32H2,1-6H3,(H3,67,68)(H3,69,70)(H,71,87)(H,72,88)(H,73,85)(H,74,86)(H,75,91)(H,76,92)(H,77,89)(H,78,90)
    MOLECULAR FORMULA
    C66H96N18O8
    CROSS REFERENCES
    743222 logo

    canSAR743222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1268.77
    AlogP 10.00
    HBond donors 14
    HBond acceptors 26
    Atoms 188
    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 canSAR743222.