canSAR1529865
FEATURES
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NAMES
    SMILES
    NC[C@@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O
    InChI
    InChI=1S/C31H28N6O3/c32-17-28(22-7-2-1-3-8-22)36-14-5-9-24(31(36)39)30(38)33-13-4-6-21-10-11-26-25(16-21)29-27(18-34-26)35-20-37(29)23-12-15-40-19-23/h1-3,5,7-11,14,16,18,20,23,28H,12-13,15,17,19,32H2,(H,33,38)/t23?,28-/m0/s1
    MOLECULAR FORMULA
    C31H28N6O3
    CROSS REFERENCES
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    canSAR1529865
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight532.22
    AlogP3.04
    HBond donors3
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1529865.