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canSAR143198
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O
    InChI
    InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
    MOLECULAR FORMULA
    C64H77N9O15
    CROSS REFERENCES
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    canSAR143198

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1211.55
    AlogP 3.65
    HBond donors 12
    HBond acceptors 24
    Atoms 165
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR143198.