canSAR736050
FEATURES
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NAMES
    SMILES
    O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCC#Cc1ccc(N2C(=O)[C@H](CC[C@H](O)c3ccc(F)cc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1
    InChI
    InChI=1S/C60H54FN3O16/c61-36-14-9-33(10-15-36)46(67)26-25-44-51(34-11-20-40(21-12-34)78-60-54(71)52(69)53(70)55(80-60)59(76)77)64(57(44)73)37-16-7-32(8-17-37)5-4-28-62-49(68)6-2-1-3-27-63-56(72)35-13-22-41(45(29-35)58(74)75)50-42-23-18-38(65)30-47(42)79-48-31-39(66)19-24-43(48)50/h7-24,29-31,44,46,51-55,60,65,67,69-71H,1-3,6,25-28H2,(H,62,68)(H,63,72)(H,74,75)(H,76,77)/t44-,46+,51-,52+,53+,54-,55+,60-/m1/s1
    MOLECULAR FORMULA
    C60H54FN3O16
    CROSS REFERENCES
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    canSAR736050
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1091.35
    AlogP6.05
    HBond donors9
    HBond acceptors19
    Atoms134
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736050.