canSAR716090
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OP(=O)(O)S)[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)(S)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)(S)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)(S)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)(S)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)(S)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/C162H230N24O85P12S12/c1-79-55-175(145(206)163-127(79)188)115-43-91(103(67-187)248-115)261-273(220,231-31-37-290-139(200)157(13,14)15)238-69-105-98(50-122(250-105)182-62-86(8)134(195)170-152(182)213)267-279(226,285)244-75-111-94(46-118(256-111)178-58-82(4)130(191)166-148(178)209)263-275(222,233-33-39-292-141(202)159(19,20)21)240-71-107-100(52-124(252-107)184-64-88(10)136(197)172-154(184)215)269-281(228,287)246-77-113-96(48-120(258-113)180-60-84(6)132(193)168-150(180)211)265-277(224,235-35-41-294-143(204)161(25,26)27)242-73-109-102(54-126(254-109)186-66-90(12)138(199)174-156(186)217)271-283(230,289)247-78-114-97(49-121(259-114)181-61-85(7)133(194)169-151(181)212)266-278(225,236-36-42-295-144(205)162(28,29)30)241-72-108-101(53-125(253-108)185-65-89(11)137(198)173-155(185)216)270-282(229,288)245-76-112-95(47-119(257-112)179-59-83(5)131(192)167-149(179)210)264-276(223,234-34-40-293-142(203)160(22,23)24)239-70-106-99(51-123(251-106)183-63-87(9)135(196)171-153(183)214)268-280(227,286)243-74-110-93(45-117(255-110)177-57-81(3)129(190)165-147(177)208)262-274(221,232-32-38-291-140(201)158(16,17)18)237-68-104-92(260-272(218,219)284)44-116(249-104)176-56-80(2)128(189)164-146(176)207/h55-66,91-126,187H,31-54,67-78H2,1-30H3,(H,226,285)(H,227,286)(H,228,287)(H,229,288)(H,230,289)(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)(H2,218,219,284)/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+,273?,274?,275?,276?,277?,278?,279?,280?,281?,282?,283?/m0/s1
    MOLECULAR FORMULA
    C162H230N24O85P12S12
    CROSS REFERENCES
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    canSAR716090
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4626.79
    AlogP14.34
    HBond donors14
    HBond acceptors109
    Atoms525
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR716090.