1020841 logo
canSAR1020841
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccccc3)nc21
    InChI
    InChI=1S/C26H22ClN5O2/c27-17-8-4-7-16(11-17)13-28-25-21-26(31-20(30-25)10-9-15-5-2-1-3-6-15)32(14-29-21)22-18-12-19(18)23(33)24(22)34/h1-8,11,14,18-19,22-24,33-34H,12-13H2,(H,28,30,31)/t18-,19+,22+,23+,24-/m0/s1
    MOLECULAR FORMULA
    C26H22ClN5O2
    CROSS REFERENCES
    1020841 logo

    canSAR1020841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.15
    AlogP 3.40
    HBond donors 3
    HBond acceptors 7
    Atoms 56
    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 canSAR1020841.