canSAR1710950
FEATURES
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NAMES
    SMILES
    CCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1.Cl
    InChI
    InChI=1S/C25H35N5O4.ClH/c1-6-16-7-14-9-18(34-19(14)10-26-16)20-13(2)28-24(27-12-25(3,4)5)30-23(20)29-17-8-15(11-31)21(32)22(17)33;/h7,9-10,15,17,21-22,31-33H,6,8,11-12H2,1-5H3,(H2,27,28,29,30);1H/t15-,17-,21-,22+;/m1./s1
    MOLECULAR FORMULA
    C25H36ClN5O4
    CROSS REFERENCES
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    canSAR1710950
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight505.25
    AlogP3.55
    HBond donors5
    HBond acceptors9
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1710950.