canSAR819062
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](n5cc(CO[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)nn5)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C75H73N9O30/c1-27-42(90)16-32-18-44(27)111-45-17-31(8-14-41(45)89)57(84-23-34(82-83-84)26-108-74-65(99)63(97)66(49(25-86)113-74)114-75-64(98)62(96)61(95)48(24-85)112-75)72(105)81-56-59(93)29-5-11-37(12-6-29)110-47-20-33-19-46(60(47)94)109-36-9-3-28(4-10-36)58(92)55-71(104)79-54(73(106)107-2)39-21-35(87)22-43(91)50(39)38-15-30(7-13-40(38)88)51(67(100)80-55)76-69(102)53(33)77-68(101)52(32)78-70(56)103/h3-23,48-49,51-59,61-66,74-75,85-99H,24-26H2,1-2H3,(H,76,102)(H,77,101)(H,78,103)(H,79,104)(H,80,100)(H,81,105)/t48-,49-,51-,52+,53-,54-,55+,56-,57-,58-,59-,61-,62+,63-,64-,65-,66-,74+,75-/m1/s1
    MOLECULAR FORMULA
    C75H73N9O30
    CROSS REFERENCES
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    canSAR819062
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1579.45
    AlogP-1.11
    HBond donors21
    HBond acceptors39
    Atoms187
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819062.