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canSAR779604
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C49H65N17O6/c50-47(51)56-20-8-17-35-41(67)61-36(18-9-21-57-48(52)53)42(68)64-38(23-28-11-2-1-3-12-28)44(70)62-37(19-10-22-58-49(54)55)43(69)65-40(25-30-27-60-34-16-7-5-14-32(30)34)46(72)66-39(45(71)63-35)24-29-26-59-33-15-6-4-13-31(29)33/h1-7,11-16,26-27,35-40,59-60H,8-10,17-25H2,(H,61,67)(H,62,70)(H,63,71)(H,64,68)(H,65,69)(H,66,72)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t35-,36-,37-,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C49H65N17O6
    CROSS REFERENCES
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    canSAR779604

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 987.53
    AlogP -0.61
    HBond donors 20
    HBond acceptors 23
    Atoms 137
    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 canSAR779604.