1091820 logo
canSAR1091820
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C54H90N4O9/c1-34(2)35-22-27-54(45(62)57-31-19-17-15-13-14-16-18-30-56-44(61)37(32-41(55)59)58-47(65)67-48(3,4)5)29-28-52(11)36(43(35)54)20-21-39-51(10)25-24-40(66-42(60)33-49(6,7)46(63)64)50(8,9)38(51)23-26-53(39,52)12/h35-40,43H,1,13-33H2,2-12H3,(H2,55,59)(H,56,61)(H,57,62)(H,58,65)(H,63,64)/t35-,36+,37-,38-,39+,40-,43+,51-,52+,53+,54-/m0/s1
    MOLECULAR FORMULA
    C54H90N4O9
    CROSS REFERENCES
    1091820 logo

    canSAR1091820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 938.67
    AlogP 9.79
    HBond donors 6
    HBond acceptors 13
    Atoms 157
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1091820.