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canSAR1126033
FEATURES
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NAMES
    SMILES
    CCCCC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3c(CC)cccc3C2)NC1=O
    InChI
    InChI=1S/C54H72N12O8/c1-3-5-23-45(67)61-44-30-46(68)58-26-12-11-21-40(47(55)69)62-50(72)43(29-36-32-60-39-20-10-9-19-38(36)39)64-48(70)41(22-14-27-59-53(56)57)63-49(71)42(28-33-15-7-6-8-16-33)65-52(74)54(66-51(44)73)25-24-37-34(4-2)17-13-18-35(37)31-54/h6-10,13,15-20,32,40-44,60H,3-5,11-12,14,21-31H2,1-2H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,72)(H,63,71)(H,64,70)(H,65,74)(H,66,73)(H4,56,57,59)/t40-,41-,42+,43-,44-,54-/m0/s1
    MOLECULAR FORMULA
    C54H72N12O8
    CROSS REFERENCES
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    canSAR1126033

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1016.56
    AlogP 1.40
    HBond donors 14
    HBond acceptors 20
    Atoms 146
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126033.