canSAR1014822
FEATURES
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NAMES
    SMILES
    O=c1ccn([C@@H]2O[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](COP(=O)(O)O[C@@H]%13[C@@H](CO)O[C@@H](n%14ccc(=O)[nH]c%14=O)[C@@H]%13OCOCC(Cl)(Cl)Cl)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12OCOCC(Cl)(Cl)Cl)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOCC(Cl)(Cl)Cl)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOCC(Cl)(Cl)Cl)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOCC(Cl)(Cl)Cl)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOCC(Cl)(Cl)Cl)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOCC(Cl)(Cl)Cl)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOCC(Cl)(Cl)Cl)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOCC(Cl)(Cl)Cl)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOCC(Cl)(Cl)Cl)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOCC(Cl)(Cl)Cl)[C@@H](O)[C@H]2OCOCC(Cl)(Cl)Cl)c(=O)[nH]1
    InChI
    InChI=1S/C144H169Cl36N24O106P11/c145-133(146,147)37-253-49-265-97-85(218)62(289-109(97)193-13-1-73(206)181-121(193)219)26-277-311(231,232)301-87-64(291-111(195-15-3-75(208)183-123(195)221)99(87)267-51-255-39-135(151,152)153)28-279-313(235,236)303-89-66(293-113(197-17-5-77(210)185-125(197)223)101(89)269-53-257-41-137(157,158)159)30-281-315(239,240)305-91-68(295-115(199-19-7-79(212)187-127(199)225)103(91)271-55-259-43-139(163,164)165)32-283-317(243,244)307-93-70(297-117(201-21-9-81(214)189-129(201)227)105(93)273-57-261-45-141(169,170)171)34-285-319(247,248)309-95-72(299-119(203-23-11-83(216)191-131(203)229)107(95)275-59-263-47-143(175,176)177)36-287-321(251,252)310-96-71(298-120(204-24-12-84(217)192-132(204)230)108(96)276-60-264-48-144(178,179)180)35-286-320(249,250)308-94-69(296-118(202-22-10-82(215)190-130(202)228)106(94)274-58-262-46-142(172,173)174)33-284-318(245,246)306-92-67(294-116(200-20-8-80(213)188-128(200)226)104(92)272-56-260-44-140(166,167)168)31-282-316(241,242)304-90-65(292-114(198-18-6-78(211)186-126(198)224)102(90)270-54-258-42-138(160,161)162)29-280-314(237,238)302-88-63(290-112(196-16-4-76(209)184-124(196)222)100(88)268-52-256-40-136(154,155)156)27-278-312(233,234)300-86-61(25-205)288-110(194-14-2-74(207)182-122(194)220)98(86)266-50-254-38-134(148,149)150/h1-24,61-72,85-120,205,218H,25-60H2,(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,181,206,219)(H,182,207,220)(H,183,208,221)(H,184,209,222)(H,185,210,223)(H,186,211,224)(H,187,212,225)(H,188,213,226)(H,189,214,227)(H,190,215,228)(H,191,216,229)(H,192,217,230)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-/m1/s1
    MOLECULAR FORMULA
    C144H169Cl36N24O106P11
    CROSS REFERENCES
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    canSAR1014822
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight5529.45
    AlogP6.99
    HBond donors25
    HBond acceptors130
    Atoms490
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1014822.