canSAR2079845
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCc2cn(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)nn2)CC[C@H]1C
    InChI
    InChI=1S/C53H89N15O8/c1-30-16-21-53(23-22-51(6)33(41(53)31(30)2)14-15-38-50(5)19-18-39(69)49(3,4)37(50)17-20-52(38,51)7)45(75)76-29-32-27-68(67-66-32)28-40(70)63-34(11-8-24-60-46(54)55)42(71)64-35(12-9-25-61-47(56)57)43(72)65-36(44(73)74)13-10-26-62-48(58)59/h14,27,30-31,34-39,41,69H,8-13,15-26,28-29H2,1-7H3,(H,63,70)(H,64,71)(H,65,72)(H,73,74)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,31+,34+,35+,36+,37+,38-,39+,41+,50+,51-,52-,53+/m1/s1
    MOLECULAR FORMULA
    C53H89N15O8
    CROSS REFERENCES
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    canSAR2079845
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1063.70
    AlogP2.67
    HBond donors17
    HBond acceptors23
    Atoms165
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079845.