83153 logo
canSAR83153
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
    InChI
    InChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
    MOLECULAR FORMULA
    C48H71N11O5
    CROSS REFERENCES
    83153 logo

    canSAR83153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 881.56
    AlogP 4.88
    HBond donors 12
    HBond acceptors 16
    Atoms 135
    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 canSAR83153.