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canSAR993989
FEATURES
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NAMES
    SMILES
    CCOCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]4[C@@H](COP(=O)(O)O[C@@H]5[C@@H](COP(=O)(O)O[C@@H]6[C@@H](COP(=O)(O)O[C@@H]7[C@@H](COP(=O)(O)O[C@@H]8[C@@H](COP(=O)(O)O[C@@H]9[C@@H](COP(=O)(O)O[C@@H]%10[C@@H](COP(=O)(O)O[C@@H]%11[C@@H](COP(=O)(O)O[C@@H]%12[C@@H](CO)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12OCOCC)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOCC)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOCC)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOCC)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOCC)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOCC)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOCC)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOCC)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOCC)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOCC)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OCOCC)O[C@H]1n1ccc(=O)[nH]c1=O
    InChI
    InChI=1S/C144H205N24O106P11/c1-13-217-61-229-109-97(182)74(253-121(109)157-37-25-85(170)145-133(157)183)50-241-275(195,196)265-99-76(255-123(111(99)231-63-219-15-3)159-39-27-87(172)147-135(159)185)52-243-277(199,200)267-101-78(257-125(113(101)233-65-221-17-5)161-41-29-89(174)149-137(161)187)54-245-279(203,204)269-103-80(259-127(115(103)235-67-223-19-7)163-43-31-91(176)151-139(163)189)56-247-281(207,208)271-105-82(261-129(117(105)237-69-225-21-9)165-45-33-93(178)153-141(165)191)58-249-283(211,212)273-107-84(263-131(119(107)239-71-227-23-11)167-47-35-95(180)155-143(167)193)60-251-285(215,216)274-108-83(262-132(120(108)240-72-228-24-12)168-48-36-96(181)156-144(168)194)59-250-284(213,214)272-106-81(260-130(118(106)238-70-226-22-10)166-46-34-94(179)154-142(166)192)57-248-282(209,210)270-104-79(258-128(116(104)236-68-224-20-8)164-44-32-92(177)152-140(164)190)55-246-280(205,206)268-102-77(256-126(114(102)234-66-222-18-6)162-42-30-90(175)150-138(162)188)53-244-278(201,202)266-100-75(254-124(112(100)232-64-220-16-4)160-40-28-88(173)148-136(160)186)51-242-276(197,198)264-98-73(49-169)252-122(110(98)230-62-218-14-2)158-38-26-86(171)146-134(158)184/h25-48,73-84,97-132,169,182H,13-24,49-72H2,1-12H3,(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,145,170,183)(H,146,171,184)(H,147,172,185)(H,148,173,186)(H,149,174,187)(H,150,175,188)(H,151,176,189)(H,152,177,190)(H,153,178,191)(H,154,179,192)(H,155,180,193)(H,156,181,194)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-/m1/s1
    MOLECULAR FORMULA
    C144H205N24O106P11
    CROSS REFERENCES
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    canSAR993989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4306.85
    AlogP -9.21
    HBond donors 25
    HBond acceptors 130
    Atoms 490
    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 canSAR993989.