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canSAR1017905
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O[P@](=O)(S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C114H152N30O78P12S/c1-49-31-139(109(158)127-97(49)146)91-25-61(217-229(177,178)192-42-72-59(23-89(204-72)137-17-11-83(119)125-107(137)156)215-227(173,174)190-40-70-58(22-88(202-70)136-16-10-82(118)124-106(136)155)213-225(169,170)188-38-68-56(211-223(164,165)166)20-86(200-68)134-14-8-80(116)122-104(134)153)74(206-91)44-194-230(179,180)219-63-27-93(141-33-51(3)99(148)129-111(141)160)208-76(63)46-196-232(183,184)221-65-29-95(143-35-53(5)101(150)131-113(143)162)210-78(65)48-198-234(187,235)222-66-30-96(144-36-54(6)102(151)132-114(144)163)209-77(66)47-197-233(185,186)220-64-28-94(142-34-52(4)100(149)130-112(142)161)207-75(64)45-195-231(181,182)218-62-26-92(140-32-50(2)98(147)128-110(140)159)205-73(62)43-193-228(175,176)216-60-24-90(138-18-12-84(120)126-108(138)157)203-71(60)41-191-226(171,172)214-57-21-87(135-15-9-81(117)123-105(135)154)201-69(57)39-189-224(167,168)212-55-19-85(199-67(55)37-145)133-13-7-79(115)121-103(133)152/h7-18,31-36,55-78,85-96,145H,19-30,37-48H2,1-6H3,(H,167,168)(H,169,170)(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,187,235)(H2,115,121,152)(H2,116,122,153)(H2,117,123,154)(H2,118,124,155)(H2,119,125,156)(H2,120,126,157)(H,127,146,158)(H,128,147,159)(H,129,148,160)(H,130,149,161)(H,131,150,162)(H,132,151,163)(H2,164,165,166)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,234+/m0/s1
    MOLECULAR FORMULA
    C114H152N30O78P12S
    CROSS REFERENCES
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    canSAR1017905

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3592.54
    AlogP -4.45
    HBond donors 31
    HBond acceptors 108
    Atoms 387
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1017905.