canSAR1644084
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCNC(=O)[C@H]1CC(=O)N[C@H](CO)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(N)=O)C(=O)N1
    InChI
    InChI=1S/C45H70N12O15/c1-2-3-4-5-6-7-8-9-10-11-16-49-39(66)31-21-37(64)52-32(23-58)44(71)53-27(17-25-12-14-26(60)15-13-25)41(68)54-28(18-34(46)61)40(67)50-22-38(65)51-29(19-35(47)62)42(69)57-33(24-59)45(72)55-30(20-36(48)63)43(70)56-31/h12-15,27-33,58-60H,2-11,16-24H2,1H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,49,66)(H,50,67)(H,51,65)(H,52,64)(H,53,71)(H,54,68)(H,55,72)(H,56,70)(H,57,69)/t27-,28-,29-,30-,31-,32-,33+/m1/s1
    MOLECULAR FORMULA
    C45H70N12O15
    CROSS REFERENCES
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    canSAR1644084
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1018.51
    AlogP-5.50
    HBond donors18
    HBond acceptors27
    Atoms142
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1644084.