canSAR726459
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=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](CO)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OC)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OC)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@@H]4OC)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OC)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OC)O[C@H]1n1ccc(=O)[nH]c1=O
    InChI
    InChI=1S/C163H232N24O97P12S6/c1-79-60-181(151(212)169-127(79)194)109-54-86(93(261-109)68-250-286(222,223)283-119-102(272-139(126(119)243-31)187-66-85(7)133(200)175-157(187)218)77-254-289(228,229)282-117-100(269-136(123(117)240-28)178-39-34-106(191)166-148(178)209)75-252-287(224,225)280-115-92(67-188)267-134(121(115)238-26)176-37-32-104(189)164-146(176)207)273-291(232,244-42-48-297-140(201)158(8,9)10)255-69-94-87(55-110(262-94)182-61-80(2)128(195)170-152(182)213)274-292(233,245-43-49-298-141(202)159(11,12)13)256-70-95-88(56-111(263-95)183-62-81(3)129(196)171-153(183)214)275-293(234,246-44-50-299-142(203)160(14,15)16)257-71-96-89(57-112(264-96)184-63-82(4)130(197)172-154(184)215)276-294(235,247-45-51-300-143(204)161(17,18)19)258-72-97-90(58-113(265-97)185-64-83(5)131(198)173-155(185)216)277-295(236,248-46-52-301-144(205)162(20,21)22)259-73-98-91(59-114(266-98)186-65-84(6)132(199)174-156(186)217)278-296(237,249-47-53-302-145(206)163(23,24)25)260-78-103-120(125(242-30)138(271-103)180-41-36-108(193)168-150(180)211)284-290(230,231)253-76-101-118(124(241-29)137(270-101)179-40-35-107(192)167-149(179)210)281-288(226,227)251-74-99-116(279-285(219,220)221)122(239-27)135(268-99)177-38-33-105(190)165-147(177)208/h32-41,60-66,86-103,109-126,134-139,188H,42-59,67-78H2,1-31H3,(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,164,189,207)(H,165,190,208)(H,166,191,209)(H,167,192,210)(H,168,193,211)(H,169,194,212)(H,170,195,213)(H,171,196,214)(H,172,197,215)(H,173,198,216)(H,174,199,217)(H,175,200,218)(H2,219,220,221)/t86-,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,134+,135+,136+,137+,138+,139+,291?,292?,293?,294?,295?,296?/m0/s1
    MOLECULAR FORMULA
    C163H232N24O97P12S6
    CROSS REFERENCES
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    canSAR726459
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4640.91
    AlogP4.92
    HBond donors20
    HBond acceptors121
    Atoms534
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR726459.