canSAR1600219
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](C)(Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
    InChI
    InChI=1S/C51H72N18O9/c1-29(70)63-36(17-10-20-59-49(53)54)43(73)67-40-24-41(71)58-19-9-8-16-35(42(52)72)64-45(75)38(22-31-26-61-34-15-7-6-14-33(31)34)65-44(74)37(18-11-21-60-50(55)56)68-48(78)51(2,25-30-12-4-3-5-13-30)69-47(77)39(66-46(40)76)23-32-27-57-28-62-32/h3-7,12-15,26-28,35-40,61H,8-11,16-25H2,1-2H3,(H2,52,72)(H,57,62)(H,58,71)(H,63,70)(H,64,75)(H,65,74)(H,66,76)(H,67,73)(H,68,78)(H,69,77)(H4,53,54,59)(H4,55,56,60)/t35-,36-,37-,38-,39-,40-,51+/m0/s1
    MOLECULAR FORMULA
    C51H72N18O9
    CROSS REFERENCES
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    canSAR1600219
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1080.57
    AlogP-2.58
    HBond donors20
    HBond acceptors27
    Atoms150
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1600219.