1618852 logo
canSAR1618852
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C1=O
    InChI
    InChI=1S/C56H76N16O10/c1-33(73)66-41(21-12-24-63-55(58)59)49(76)71-45-29-47(74)62-23-11-10-20-40(48(57)75)67-52(79)44(27-36-30-65-39-19-9-8-18-38(36)39)69-50(77)42(22-13-25-64-56(60)61)68-51(78)43(26-34-14-4-2-5-15-34)70-53(80)46-28-37(31-72(46)54(45)81)82-32-35-16-6-3-7-17-35/h2-9,14-19,30,37,40-46,65H,10-13,20-29,31-32H2,1H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,58,59,63)(H4,60,61,64)/t37-,40+,41+,42+,43-,44+,45+,46+/m1/s1
    MOLECULAR FORMULA
    C56H76N16O10
    CROSS REFERENCES
    1618852 logo

    canSAR1618852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1132.59
    AlogP -1.23
    HBond donors 18
    HBond acceptors 26
    Atoms 158
    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 canSAR1618852.