163818 logo
canSAR163818
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C
    InChI
    InChI=1S/C53H80N10O13/c1-9-31(8)42(55)51(73)59-36(24-28(2)3)46(68)57-37(26-33-17-19-34(65)20-18-33)47(69)56-35(21-22-41(54)66)45(67)61-43(29(4)5)52(74)63-23-13-16-40(63)50(72)58-38(25-32-14-11-10-12-15-32)48(70)60-39(27-64)49(71)62-44(30(6)7)53(75)76/h10-12,14-15,17-20,28-31,35-40,42-44,64-65H,9,13,16,21-27,55H2,1-8H3,(H2,54,66)(H,56,69)(H,57,68)(H,58,72)(H,59,73)(H,60,70)(H,61,67)(H,62,71)(H,75,76)/t31-,35-,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C53H80N10O13
    CROSS REFERENCES
    163818 logo

    canSAR163818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1064.59
    AlogP -0.36
    HBond donors 14
    HBond acceptors 23
    Atoms 156
    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 canSAR163818.