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canSAR1445855
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1
    InChI
    InChI=1S/C49H73N17O10/c1-27(67)60-34(11-6-22-57-48(52)53)42(70)63-36-17-18-40(68)56-21-5-10-33(41(51)69)61-47(75)39(25-29-26-59-32-9-4-3-8-31(29)32)66-43(71)35(12-7-23-58-49(54)55)62-46(74)38(24-28-13-15-30(76-2)16-14-28)65-45(73)37(19-20-50)64-44(36)72/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
    MOLECULAR FORMULA
    C49H73N17O10
    CROSS REFERENCES
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    canSAR1445855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1059.57
    AlogP -3.57
    HBond donors 21
    HBond acceptors 27
    Atoms 149
    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 canSAR1445855.