993100 logo
canSAR993100
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N[C@H](CC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O
    InChI
    InChI=1S/C25H21FN4O3S/c26-17-12-15(28-21(31)13-18(27)24(32)33)6-7-16(17)22-29-19-8-9-20(30-23(19)34-22)25(10-11-25)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13,27H2,(H,28,31)(H,32,33)/t18-/m1/s1
    MOLECULAR FORMULA
    C25H21FN4O3S
    CROSS REFERENCES
    993100 logo

    canSAR993100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.13
    AlogP 4.32
    HBond donors 4
    HBond acceptors 7
    Atoms 55
    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 canSAR993100.