923506 logo
canSAR923506
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C=C1/NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCC)COC(=O)[C@H](C(O)CCl)NC(=O)[C@H]([C@H](O)C(=O)NCC)NC1=O
    InChI
    InChI=1S/C53H92ClN13O18/c1-5-8-9-10-11-12-13-14-15-18-30(69)25-38(71)59-36-28-85-53(84)41(37(70)27-54)66-51(82)42(43(74)52(83)58-7-3)67-44(75)31(6-2)60-50(81)40(29(4)68)65-47(78)34(21-24-57)62-45(76)32(19-16-17-22-55)61-48(79)35(26-39(72)73)64-46(77)33(20-23-56)63-49(36)80/h6,29-30,32-37,40-43,68-70,74H,5,7-28,55-57H2,1-4H3,(H,58,83)(H,59,71)(H,60,81)(H,61,79)(H,62,76)(H,63,80)(H,64,77)(H,65,78)(H,66,82)(H,67,75)(H,72,73)/b31-6+/t29?,30?,32-,33+,34-,35-,36-,37?,40-,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C53H92ClN13O18
    CROSS REFERENCES
    923506 logo

    canSAR923506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1233.64
    AlogP -5.11
    HBond donors 21
    HBond acceptors 31
    Atoms 177
    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 canSAR923506.