canSAR824442
FEATURES
Loading...
NAMES
    SMILES
    CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1)B1O[C@@H]2[C@@H](C[C@H]3C[C@@H]2C3(C)C)O1
    InChI
    InChI=1S/C39H47BN6O5/c1-23(2)16-34(40-50-33-20-26-19-28(35(33)51-40)39(26,3)4)46-37(48)30(17-24-10-6-5-7-11-24)44-36(47)31(45-38(49)32-22-41-14-15-42-32)18-25-21-43-29-13-9-8-12-27(25)29/h5-15,21-23,26,28,30-31,33-35,43H,16-20H2,1-4H3,(H,44,47)(H,45,49)(H,46,48)/t26-,28+,30+,31+,33-,34-,35+/m1/s1
    MOLECULAR FORMULA
    C39H47BN6O5
    CROSS REFERENCES
    Loading...
    canSAR824442
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight690.37
    AlogP4.43
    HBond donors4
    HBond acceptors11
    Atoms98
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824442.