5504 logo
canSAR5504
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N
    InChI
    InChI=1S/C27H37N7O6/c1-17(20-8-5-4-6-9-20)31-25(37)24(18(2)35)33(3)26(38)22(32-23(36)10-7-15-30-27(28)29)16-19-11-13-21(14-12-19)34(39)40/h4-6,8-9,11-14,17-18,22,24,35H,7,10,15-16H2,1-3H3,(H,31,37)(H,32,36)(H4,28,29,30)/t17-,18?,22+,24+/m1/s1
    MOLECULAR FORMULA
    C27H37N7O6
    CROSS REFERENCES
    5504 logo

    canSAR5504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.28
    AlogP 0.76
    HBond donors 7
    HBond acceptors 13
    Atoms 77
    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 canSAR5504.