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canSAR1059276
FEATURES
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NAMES
    SMILES
    N=C(NCCCCNC(=O)C[C@H](NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1
    InChI
    InChI=1S/C59H84F3N13O12S/c60-59(61,62)58(73-74-58)42-20-18-41(19-21-42)53(80)70-43(54(81)67-26-9-29-86-31-33-87-32-30-85-28-8-25-64-47(76)13-5-4-12-46-51-44(37-88-46)71-57(84)72-51)34-48(77)65-23-6-7-24-66-52(63)40-16-14-38(15-17-40)35-69-55(82)45-22-27-75(45)56(83)50(68-36-49(78)79)39-10-2-1-3-11-39/h14-21,39,43-46,50-51,68H,1-13,22-37H2,(H2,63,66)(H,64,76)(H,65,77)(H,67,81)(H,69,82)(H,70,80)(H,78,79)(H2,71,72,84)/t43-,44-,45-,46-,50+,51-/m0/s1
    MOLECULAR FORMULA
    C59H84F3N13O12S
    CROSS REFERENCES
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    canSAR1059276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1255.60
    AlogP 3.50
    HBond donors 11
    HBond acceptors 25
    Atoms 172
    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 canSAR1059276.