canSAR1632012
FEATURES
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NAMES
    SMILES
    CC(C)NC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@H]2CC[C@H](C)CC2)[C@H](C)C1
    InChI
    InChI=1S/C31H40ClN9O3/c1-17(2)34-30(42)39-14-19(4)41(20(5)15-39)29-36-24-11-25(28-37-31(43)44-38-28)35-26(22-10-23(32)13-33-12-22)27(24)40(29)16-21-8-6-18(3)7-9-21/h10-13,17-21H,6-9,14-16H2,1-5H3,(H,34,42)(H,37,38,43)/t18-,19-,20-,21-/m1/s1
    MOLECULAR FORMULA
    C31H40ClN9O3
    CROSS REFERENCES
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    canSAR1632012
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight621.29
    AlogP5.33
    HBond donors2
    HBond acceptors12
    Atoms84
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632012.