canSAR997527
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]%13O)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12O)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11O)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10O)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9O)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8O)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7O)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6O)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5O)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4O)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
    InChI
    InChI=1S/C108H133N24O94P11/c133-25-37-74(63(148)86(204-37)122-14-2-50(135)110-98(122)160)216-228(173,174)194-27-39-76(65(150)88(206-39)124-16-4-52(137)112-100(124)162)218-230(177,178)196-29-41-78(67(152)90(208-41)126-18-6-54(139)114-102(126)164)220-232(181,182)198-31-43-80(69(154)92(210-43)128-20-8-56(141)116-104(128)166)222-234(185,186)200-33-45-82(71(156)94(212-45)130-22-10-58(143)118-106(130)168)224-236(189,190)202-35-47-84(73(158)96(214-47)132-24-12-60(145)120-108(132)170)226-237(191,192)203-36-48-83(72(157)95(215-48)131-23-11-59(144)119-107(131)169)225-235(187,188)201-34-46-81(70(155)93(213-46)129-21-9-57(142)117-105(129)167)223-233(183,184)199-32-44-79(68(153)91(211-44)127-19-7-55(140)115-103(127)165)221-231(179,180)197-30-42-77(66(151)89(209-42)125-17-5-53(138)113-101(125)163)219-229(175,176)195-28-40-75(64(149)87(207-40)123-15-3-51(136)111-99(123)161)217-227(171,172)193-26-38-61(146)62(147)85(205-38)121-13-1-49(134)109-97(121)159/h1-24,37-48,61-96,133,146-158H,25-36H2,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,109,134,159)(H,110,135,160)(H,111,136,161)(H,112,137,162)(H,113,138,163)(H,114,139,164)(H,115,140,165)(H,116,141,166)(H,117,142,167)(H,118,143,168)(H,119,144,169)(H,120,145,170)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-/m1/s1
    MOLECULAR FORMULA
    C108H133N24O94P11
    CROSS REFERENCES
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    canSAR997527
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3610.35
    AlogP-21.43
    HBond donors37
    HBond acceptors118
    Atoms370
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR997527.