canSAR868452
FEATURES
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NAMES
    SMILES
    CCC(C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)N[C@@H](CC1C=NC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
    InChI
    InChI=1S/C55H84Cl2N14O11/c1-6-32(4)47(69-50(77)41(25-35-13-17-38(72)18-14-35)66-52(79)46(31(2)3)68-49(76)40(9-7-21-62-55(59)60)65-48(75)39(58)28-45(73)74)33(5)64-42(27-36-29-61-30-63-36)53(80)71-22-8-10-44(71)51(78)67-43(54(81)82)26-34-11-15-37(16-12-34)70(23-19-56)24-20-57/h11-18,29-33,36,39-44,46-47,55,62,64,72H,6-10,19-28,58-60H2,1-5H3,(H,65,75)(H,66,79)(H,67,78)(H,68,76)(H,69,77)(H,73,74)(H,81,82)/t32?,33-,36?,39+,40+,41+,42+,43+,44-,46+,47-/m1/s1
    MOLECULAR FORMULA
    C55H84Cl2N14O11
    CROSS REFERENCES
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    canSAR868452
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1186.58
    AlogP0.25
    HBond donors16
    HBond acceptors25
    Atoms166
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR868452.