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canSAR831893
FEATURES
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NAMES
    SMILES
    CC(=O)NC1C(O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3OC3OC(CO)C(O)C(O)C3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)C[C@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N(C)C)c2cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c2-c2cc3ccc2O)OC(CO)C(O)C1O
    InChI
    InChI=1S/C90H102Cl2N10O32/c1-35(2)10-8-6-7-9-11-62(111)96-70-76(116)73(113)60(33-104)131-89(70)134-80-57-27-42-28-58(80)128-54-19-15-40(25-49(54)92)79(133-88-69(94-36(3)106)75(115)72(112)59(32-103)130-88)71-86(124)100-68(87(125)102(4)5)47-30-44(108)31-56(129-90-78(118)77(117)74(114)61(34-105)132-90)63(47)46-24-39(14-16-51(46)109)65(83(121)101-71)98-85(123)67(42)99-84(122)66-41-22-43(107)29-45(23-41)126-55-26-38(13-17-52(55)110)64(93)82(120)95-50(81(119)97-66)21-37-12-18-53(127-57)48(91)20-37/h12-20,22-31,35,50,59-61,64-79,88-90,103-105,107-110,112-118H,6-11,21,32-34,93H2,1-5H3,(H,94,106)(H,95,120)(H,96,111)(H,97,119)(H,98,123)(H,99,122)(H,100,124)(H,101,121)/t50-,59?,60?,61?,64-,65-,66+,67-,68-,69?,70?,71+,72?,73?,74?,75?,76?,77?,78?,79-,88?,89?,90?/m1/s1
    MOLECULAR FORMULA
    C90H102Cl2N10O32
    CROSS REFERENCES
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    canSAR831893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1904.60
    AlogP 1.02
    HBond donors 24
    HBond acceptors 42
    Atoms 236
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831893.