canSAR2100990
FEATURES
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NAMES
    SMILES
    C[C@H](N=C(O)Nc1cc2[nH]nc(C(=O)NCC3CCOC3)c2cn1)c1ccccc1
    InChI
    InChI=1S/C21H24N6O3/c1-13(15-5-3-2-4-6-15)24-21(29)25-18-9-17-16(11-22-18)19(27-26-17)20(28)23-10-14-7-8-30-12-14/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,28)(H,26,27)(H2,22,24,25,29)/t13-,14?/m0/s1
    MOLECULAR FORMULA
    C21H24N6O3
    CROSS REFERENCES
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    canSAR2100990
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight408.19
    AlogP2.81
    HBond donors4
    HBond acceptors9
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100990.