canSAR706782
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C162H230N24O91P12S6/c1-79-55-175(145(206)163-127(79)188)115-43-91(103(67-187)254-115)272-284(231,237-31-37-290-139(200)157(13,14)15)249-74-110-93(45-117(261-110)177-57-81(3)129(190)165-147(177)208)267-279(221,222)244-69-105-99(51-123(256-105)183-63-87(9)135(196)171-153(183)214)274-286(233,239-33-39-292-141(202)159(19,20)21)251-76-112-95(47-119(263-112)179-59-83(5)131(192)167-149(179)210)269-281(225,226)246-71-107-101(53-125(258-107)185-65-89(11)137(198)173-155(185)216)276-288(235,241-35-41-294-143(204)161(25,26)27)253-78-114-97(49-121(265-114)181-61-85(7)133(194)169-151(181)212)271-283(229,230)247-72-108-102(54-126(259-108)186-66-90(12)138(199)174-156(186)217)277-289(236,242-36-42-295-144(205)162(28,29)30)252-77-113-96(48-120(264-113)180-60-84(6)132(193)168-150(180)211)270-282(227,228)245-70-106-100(52-124(257-106)184-64-88(10)136(197)172-154(184)215)275-287(234,240-34-40-293-142(203)160(22,23)24)250-75-111-94(46-118(262-111)178-58-82(4)130(191)166-148(178)209)268-280(223,224)243-68-104-98(50-122(255-104)182-62-86(8)134(195)170-152(182)213)273-285(232,238-32-38-291-140(201)158(16,17)18)248-73-109-92(266-278(218,219)220)44-116(260-109)176-56-80(2)128(189)164-146(176)207/h55-66,91-126,187H,31-54,67-78H2,1-30H3,(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,163,188,206)(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)(H2,218,219,220)/t91-,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+,121+,122+,123+,124+,125+,126+,284?,285?,286?,287?,288?,289?/m0/s1
    MOLECULAR FORMULA
    C162H230N24O91P12S6
    CROSS REFERENCES
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    canSAR706782
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4530.93
    AlogP8.72
    HBond donors20
    HBond acceptors115
    Atoms525
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR706782.