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canSAR1142315
FEATURES
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NAMES
    SMILES
    CC(C)[C@H]1C[C@@]1(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C45H61N11O8/c1-26(2)32-24-45(32,43(64)55-34(15-10-20-50-44(48)49)41(62)53-35(38(47)59)22-28-11-6-4-7-12-28)56-42(63)36(23-29-13-8-5-9-14-29)54-39(60)27(3)52-37(58)25-51-40(61)33(46)21-30-16-18-31(57)19-17-30/h4-9,11-14,16-19,26-27,32-36,57H,10,15,20-25,46H2,1-3H3,(H2,47,59)(H,51,61)(H,52,58)(H,53,62)(H,54,60)(H,55,64)(H,56,63)(H4,48,49,50)/t27-,32-,33+,34+,35+,36+,45+/m1/s1
    MOLECULAR FORMULA
    C45H61N11O8
    CROSS REFERENCES
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    canSAR1142315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 883.47
    AlogP -1.11
    HBond donors 15
    HBond acceptors 19
    Atoms 125
    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 canSAR1142315.