1132190 logo
canSAR1132190
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)O
    InChI
    InChI=1S/C35H40N8O11/c36-35(37)38-13-3-7-23(32(52)40-17-28(47)48)42-33(53)25-8-4-14-43(25)34(54)24(11-12-27(45)46)41-26(44)16-39-31(51)18-9-10-20-19-5-1-2-6-21(19)29(49)30(50)22(20)15-18/h1-2,5-6,9-10,15,23-25H,3-4,7-8,11-14,16-17H2,(H,39,51)(H,40,52)(H,41,44)(H,42,53)(H,45,46)(H,47,48)(H4,36,37,38)/t23-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C35H40N8O11
    CROSS REFERENCES
    1132190 logo

    canSAR1132190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 748.28
    AlogP -1.25
    HBond donors 10
    HBond acceptors 19
    Atoms 94
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132190.