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canSAR1863817
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)NC2CC2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C52H75N17O10/c1-29(70)62-35(14-8-24-59-51(54)55)45(74)67-39-20-22-43(72)58-23-7-15-36(44(73)63-32-17-18-32)64-50(79)41(27-31-28-61-34-13-6-5-12-33(31)34)69-46(75)37(16-9-25-60-52(56)57)65-49(78)40(26-30-10-3-2-4-11-30)68-48(77)38(66-47(39)76)19-21-42(53)71/h2-6,10-13,28,32,35-41,61H,7-9,14-27H2,1H3,(H2,53,71)(H,58,72)(H,62,70)(H,63,73)(H,64,79)(H,65,78)(H,66,76)(H,67,74)(H,68,77)(H,69,75)(H4,54,55,59)(H4,56,57,60)/t35-,36-,37-,38-,39-,40+,41-/m0/s1
    MOLECULAR FORMULA
    C52H75N17O10
    CROSS REFERENCES
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    canSAR1863817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1097.59
    AlogP -2.87
    HBond donors 20
    HBond acceptors 27
    Atoms 154
    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 canSAR1863817.