783251 logo
canSAR783251
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(=O)N1c2ccccc2C[C@H]1C(N)=O
    InChI
    InChI=1S/C39H41N7O6/c1-21(2)35(39(50)45-31-10-5-4-7-23(31)17-33(45)36(40)47)43-38(49)30(15-22-11-13-26(14-12-22)46(51)52)42-37(48)25-16-28-27-8-6-9-29-34(27)24(19-41-29)18-32(28)44(3)20-25/h4-14,16,19,21,25,30,32-33,35,41H,15,17-18,20H2,1-3H3,(H2,40,47)(H,42,48)(H,43,49)/t25-,30+,32-,33+,35+/m1/s1
    MOLECULAR FORMULA
    C39H41N7O6
    CROSS REFERENCES
    783251 logo

    canSAR783251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.31
    AlogP 3.26
    HBond donors 5
    HBond acceptors 13
    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 canSAR783251.