canSAR2102607
FEATURES
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NAMES
    SMILES
    CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCO/N=C\c1ccc(C(C#N)c2ccccc2C#N)n1C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O
    InChI
    InChI=1S/C45H61N12O12P/c1-27(2)19-35(52-45(64)39-13-10-17-57(39)29(4)59)42(61)51-36(43(62)53-37(25-58)44(63)54-40(41(48)60)28(3)69-70(65,66)67)20-32-23-49-26-56(32)16-8-9-18-68-50-24-31-14-15-38(55(31)5)34(22-47)33-12-7-6-11-30(33)21-46/h6-7,11-12,14-15,23-24,26-28,34-37,39-40,58H,8-10,13,16-20,25H2,1-5H3,(H2,48,60)(H,51,61)(H,52,64)(H,53,62)(H,54,63)(H2,65,66,67)/b50-24-/t28-,34?,35+,36+,37+,39+,40+/m1/s1
    MOLECULAR FORMULA
    C45H61N12O12P
    CROSS REFERENCES
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    canSAR2102607
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight992.43
    AlogP0.09
    HBond donors9
    HBond acceptors24
    Atoms131
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102607.