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canSAR101287
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
    InChI
    InChI=1S/C52H84N16O11/c1-7-29(6)42(68-49(78)39(23-28(4)5)65-44(73)34(53)26-41(54)71)50(79)67-40(25-31-14-18-33(70)19-15-31)48(77)63-36(11-9-21-61-52(58)59)46(75)66-38(22-27(2)3)47(76)62-35(10-8-20-60-51(56)57)45(74)64-37(43(55)72)24-30-12-16-32(69)17-13-30/h12-19,27-29,34-40,42,69-70H,7-11,20-26,53H2,1-6H3,(H2,54,71)(H2,55,72)(H,62,76)(H,63,77)(H,64,74)(H,65,73)(H,66,75)(H,67,79)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t29-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
    MOLECULAR FORMULA
    C52H84N16O11
    CROSS REFERENCES
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    canSAR101287

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1108.65
    AlogP -2.79
    HBond donors 23
    HBond acceptors 27
    Atoms 163
    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 canSAR101287.