canSAR740136
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O
    InChI
    InChI=1S/C64H102N10O10/c1-35(2)27-45-55(75)67-49(31-39(9)10)61(81)73-53(41(13)14)63(83)72-48(30-38(7)8)58(78)70-52(34-44-25-21-18-22-26-44)60(80)66-46(28-36(3)4)56(76)68-50(32-40(11)12)62(82)74-54(42(15)16)64(84)71-47(29-37(5)6)57(77)69-51(59(79)65-45)33-43-23-19-17-20-24-43/h17-26,35-42,45-54H,27-34H2,1-16H3,(H,65,79)(H,66,80)(H,67,75)(H,68,76)(H,69,77)(H,70,78)(H,71,84)(H,72,83)(H,73,81)(H,74,82)/t45-,46-,47+,48+,49-,50-,51+,52+,53+,54+/m0/s1
    MOLECULAR FORMULA
    C64H102N10O10
    CROSS REFERENCES
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    canSAR740136
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1170.78
    AlogP4.92
    HBond donors10
    HBond acceptors20
    Atoms186
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740136.