canSAR2096393
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](CCCCNC(=O)CN(CC(=O)CNc1ccc(OC)cc1)C(=O)C1CCCC(C(=O)N(CC(=O)NCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC(=O)NCc2ccc(OC)cc2)C1)NC(=O)OCc1ccccc1
    InChI
    InChI=1S/C62H80N8O16/c1-81-50-28-24-43(25-29-50)35-66-56(74)40-70(39-55(73)64-33-14-12-23-53(60(78)84-4)68-62(80)86-42-45-18-9-6-10-19-45)58(76)47-21-15-20-46(34-47)57(75)69(37-49(71)36-65-48-26-30-51(82-2)31-27-48)38-54(72)63-32-13-11-22-52(59(77)83-3)67-61(79)85-41-44-16-7-5-8-17-44/h5-10,16-19,24-31,46-47,52-53,65H,11-15,20-23,32-42H2,1-4H3,(H,63,72)(H,64,73)(H,66,74)(H,67,79)(H,68,80)/t46?,47?,52-,53-/m0/s1
    MOLECULAR FORMULA
    C62H80N8O16
    CROSS REFERENCES
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    canSAR2096393
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1192.57
    AlogP4.97
    HBond donors6
    HBond acceptors24
    Atoms166
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096393.