canSAR1417180
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C[C@@H](O)CO)CC4)cn3)nc2n1C1CCCC1
    InChI
    InChI=1S/C26H36N8O3/c1-31(2)25(37)22-13-18-14-28-26(30-24(18)34(22)19-5-3-4-6-19)29-23-8-7-20(15-27-23)33-11-9-32(10-12-33)16-21(36)17-35/h7-8,13-15,19,21,35-36H,3-6,9-12,16-17H2,1-2H3,(H,27,28,29,30)/t21-/m1/s1
    MOLECULAR FORMULA
    C26H36N8O3
    CROSS REFERENCES
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    canSAR1417180
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.29
    AlogP1.86
    HBond donors3
    HBond acceptors11
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417180.