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canSAR126834
FEATURES
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NAMES
    SMILES
    CCCCC1NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O
    InChI
    InChI=1S/C55H78N16O10/c1-6-7-17-37-47(74)69-42(25-34-27-59-29-63-34)52(79)67-40(23-32-14-9-8-10-15-32)50(77)65-38(19-13-22-60-55(57)58)48(75)68-41(24-33-26-61-36-18-12-11-16-35(33)36)51(78)66-39(20-21-44(73)64-37)49(76)70-46(31(4)5)54(81)71-45(30(2)3)53(80)62-28-43(56)72/h8-12,14-16,18,26-27,29-31,37-42,45-46,61H,6-7,13,17,19-25,28H2,1-5H3,(H2,56,72)(H,59,63)(H,62,80)(H,64,73)(H,65,77)(H,66,78)(H,67,79)(H,68,75)(H,69,74)(H,70,76)(H,71,81)(H4,57,58,60)/t37?,38-,39+,40-,41+,42-,45+,46+/m1/s1
    MOLECULAR FORMULA
    C55H78N16O10
    CROSS REFERENCES
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    canSAR126834

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1122.61
    AlogP -1.25
    HBond donors 17
    HBond acceptors 26
    Atoms 159
    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 canSAR126834.