canSAR1087853
FEATURES
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NAMES
    SMILES
    N=C(N)NCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NCC(=O)c1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C31H48N8O3/c32-18-6-4-12-26(38-22-28(40)25-16-14-24(15-17-25)23-10-2-1-3-11-23)30(42)39-27(13-5-7-19-33)29(41)36-20-8-9-21-37-31(34)35/h1-3,10-11,14-17,26-27,38H,4-9,12-13,18-22,32-33H2,(H,36,41)(H,39,42)(H4,34,35,37)/t26-,27+/m1/s1
    MOLECULAR FORMULA
    C31H48N8O3
    CROSS REFERENCES
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    canSAR1087853
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight580.38
    AlogP1.62
    HBond donors11
    HBond acceptors11
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087853.