1403680 logo
canSAR1403680
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2
    InChI
    InChI=1S/C33H48N2O4/c1-39-31(38)33-12-7-3-6-10-28(33)35(13-11-23-8-4-2-5-9-23)30(37)27(21-33)17-29(36)34-22-32-18-24-14-25(19-32)16-26(15-24)20-32/h8,10,24-27H,2-7,9,11-22H2,1H3,(H,34,36)/t24?,25?,26?,27-,32?,33+/m1/s1
    MOLECULAR FORMULA
    C33H48N2O4
    CROSS REFERENCES
    1403680 logo

    canSAR1403680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.36
    AlogP 6.07
    HBond donors 1
    HBond acceptors 6
    Atoms 87
    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 canSAR1403680.