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canSAR1121861
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1
    InChI
    InChI=1S/C60H76ClFN12O10/c1-4-65-58(83)51-12-8-28-74(51)59(84)45(11-7-27-66-60(63)64)69-53(78)46(29-35(2)3)70-54(79)47(30-37-13-20-40(61)21-14-37)71-55(80)48(31-38-17-24-42(76)25-18-38)72-57(82)50(34-75)73-56(81)49(32-39-33-67-44-10-6-5-9-43(39)44)68-52(77)26-19-36-15-22-41(62)23-16-36/h5-6,9-10,13-18,20-25,33,35,45-51,67,75-76H,4,7-8,11-12,19,26-32,34H2,1-3H3,(H,65,83)(H,68,77)(H,69,78)(H,70,79)(H,71,80)(H,72,82)(H,73,81)(H4,63,64,66)/t45-,46-,47+,48-,49-,50-,51+/m0/s1
    MOLECULAR FORMULA
    C60H76ClFN12O10
    CROSS REFERENCES
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    canSAR1121861

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1178.55
    AlogP 2.45
    HBond donors 14
    HBond acceptors 22
    Atoms 160
    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 canSAR1121861.