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canSAR1615636
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
    InChI
    InChI=1S/C50H69N17O10/c1-28(68)61-34(14-7-20-57-49(51)52)42(70)63-36-17-18-41(69)56-19-9-16-37(48(76)77)64-46(74)39(23-30-25-59-33-13-6-5-12-32(30)33)66-43(71)35(15-8-21-58-50(53)54)62-45(73)38(22-29-10-3-2-4-11-29)65-47(75)40(67-44(36)72)24-31-26-55-27-60-31/h2-6,10-13,25-27,34-40,59H,7-9,14-24H2,1H3,(H,55,60)(H,56,69)(H,61,68)(H,62,73)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,72)(H,76,77)(H4,51,52,57)(H4,53,54,58)/t34-,35-,36-,37-,38+,39-,40-/m0/s1
    MOLECULAR FORMULA
    C50H69N17O10
    CROSS REFERENCES
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    canSAR1615636

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1067.54
    AlogP -2.37
    HBond donors 19
    HBond acceptors 27
    Atoms 146
    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 canSAR1615636.