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canSAR1150234
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCOP(=O)(NCCNCCNC(=O)CCC(C)[C@H]1C[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]2(C)C1)OC[C@H]1OC(n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]
    InChI
    InChI=1S/C56H93N8O10P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-72-75(71,73-38-48-46(62-63-57)35-51(74-48)64-37-40(3)53(69)61-54(64)70)60-29-27-58-26-28-59-50(68)23-22-39(2)41-31-44-52-45(34-49(67)56(44,5)36-41)55(4)25-24-43(65)32-42(55)33-47(52)66/h37,39,41-42,44-46,48,51-52,58H,6-36,38H2,1-5H3,(H,59,68)(H,60,71)(H,61,69,70)/t39?,41-,42-,44-,45-,46-,48+,51?,52-,55-,56+,75?/m0/s1
    MOLECULAR FORMULA
    C56H93N8O10P
    CROSS REFERENCES
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    canSAR1150234

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1068.68
    AlogP 10.51
    HBond donors 4
    HBond acceptors 18
    Atoms 168
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1150234.