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canSAR463981
FEATURES
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NAMES
    SMILES
    C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
    InChI
    InChI=1S/C60H68N12O8S2/c1-35-54(74)71-51(59(79)68-48(53(63)73)28-37-20-22-40-13-3-5-15-42(40)26-37)33-81-82-34-52(72-55(75)45(62)27-36-19-21-39-12-2-4-14-41(39)25-36)60(80)69-49(29-38-11-10-24-64-31-38)57(77)70-50(30-43-32-65-46-17-7-6-16-44(43)46)58(78)67-47(56(76)66-35)18-8-9-23-61/h2-7,10-17,19-22,24-26,31-32,35,45,47-52,65H,8-9,18,23,27-30,33-34,61-62H2,1H3,(H2,63,73)(H,66,76)(H,67,78)(H,68,79)(H,69,80)(H,70,77)(H,71,74)(H,72,75)/t35-,45-,47-,48-,49-,50+,51-,52-/m0/s1
    MOLECULAR FORMULA
    C60H68N12O8S2
    CROSS REFERENCES
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    canSAR463981

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1148.47
    AlogP 2.89
    HBond donors 14
    HBond acceptors 20
    Atoms 150
    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 canSAR463981.