canSAR1000679
FEATURES
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NAMES
    SMILES
    CC(C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCOC(=O)[C@@H](N)C(C)C)c1cccc(C(=O)c2ccccc2)c1
    InChI
    InChI=1S/C34H43N6O9P/c1-23(2)28(35)34(43)47-17-18-49-50(44,22-45-16-13-40-21-39-29-31(36)37-20-38-32(29)40)48-15-8-14-46-33(42)24(3)26-11-7-12-27(19-26)30(41)25-9-5-4-6-10-25/h4-7,9-12,19-21,23-24,28H,8,13-18,22,35H2,1-3H3,(H2,36,37,38)/t24?,28-,50?/m0/s1
    MOLECULAR FORMULA
    C34H43N6O9P
    CROSS REFERENCES
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    canSAR1000679
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight710.28
    AlogP4.10
    HBond donors4
    HBond acceptors15
    Atoms93
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1000679.