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canSAR828757
FEATURES
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NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C55H68FN9O8/c1-35(66)49-55(73)64-44(30-36-16-6-4-7-17-36)50(68)58-29-15-3-2-10-23-48(67)60-45(31-37-18-8-5-9-19-37)52(70)62-46(32-38-24-26-40(56)27-25-38)53(71)63-47(33-39-34-59-42-21-12-11-20-41(39)42)54(72)61-43(51(69)65-49)22-13-14-28-57/h4-9,11-12,16-21,24-27,34-35,43-47,49,59,66H,2-3,10,13-15,22-23,28-33,57H2,1H3,(H,58,68)(H,60,67)(H,61,72)(H,62,70)(H,63,71)(H,64,73)(H,65,69)/t35-,43+,44+,45-,46+,47+,49-/m0/s1
    MOLECULAR FORMULA
    C55H68FN9O8
    CROSS REFERENCES
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    canSAR828757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1001.52
    AlogP 3.08
    HBond donors 11
    HBond acceptors 17
    Atoms 141
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828757.