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canSAR1123549
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](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccnc1
    InChI
    InChI=1S/C45H69N11O9/c1-6-49-43(64)37-12-9-21-56(37)44(65)32(11-8-20-50-45(46)47)52-39(60)33(22-27(2)3)53-40(61)34(23-28(4)5)54-41(62)35(24-29-13-16-31(58)17-14-29)55-42(63)36(26-57)51-38(59)18-15-30-10-7-19-48-25-30/h7,10,13-14,16-17,19,25,27-28,32-37,57-58H,6,8-9,11-12,15,18,20-24,26H2,1-5H3,(H,49,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H4,46,47,50)/t32-,33-,34+,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C45H69N11O9
    CROSS REFERENCES
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    canSAR1123549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 907.53
    AlogP -0.35
    HBond donors 12
    HBond acceptors 20
    Atoms 134
    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 canSAR1123549.