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canSAR777021
FEATURES
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NAMES
    SMILES
    C/C=C/c1cc2ccc1Oc1cc3cc(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)Oc1ccc(cc1/C=C/C)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]3C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c3cc(O)cc(O)c3-c3cc1ccc3O)[C@@H]2O
    InChI
    InChI=1S/C72H85N9O24/c1-8-10-31-19-34-13-16-44(31)101-46-22-36-23-47(61(46)105-71-62(60(90)59(89)48(28-82)103-71)104-50-27-72(6,74)63(91)30(5)100-50)102-45-17-14-35(20-32(45)11-9-2)58(88)56-69(97)79-54(70(98)99)39-24-37(83)25-43(85)51(39)38-21-33(12-15-42(38)84)52(66(94)81-56)78-67(95)53(36)77-65(93)41(26-49(73)86)76-68(96)55(57(34)87)80-64(92)40(75-7)18-29(3)4/h8-17,19-25,29-30,40-41,48,50,52-60,62-63,71,75,82-85,87-91H,18,26-28,74H2,1-7H3,(H2,73,86)(H,76,96)(H,77,93)(H,78,95)(H,79,97)(H,80,92)(H,81,94)(H,98,99)/b10-8+,11-9+/t30-,40+,41-,48+,50-,52+,53+,54-,55+,56-,57+,58+,59+,60-,62+,63+,71-,72-/m0/s1
    MOLECULAR FORMULA
    C72H85N9O24
    CROSS REFERENCES
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    canSAR777021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1459.57
    AlogP 0.87
    HBond donors 21
    HBond acceptors 33
    Atoms 190
    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 canSAR777021.