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canSAR1088467
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[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](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[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](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C110H136N46O75P10/c1-29-7-146(108(178)143-81(29)167)46-4-32(35(10-157)211-46)222-232(181,182)204-14-39-67(60(161)94(215-39)151-23-121-51-75(151)129-102(113)137-86(51)172)228-238(193,194)209-19-44-71(64(165)98(220-44)155-27-125-55-79(155)133-106(117)141-90(55)176)230-240(197,198)207-17-42-70(63(164)97(218-42)154-26-124-54-78(154)132-105(116)140-89(54)175)226-236(189,190)202-12-37-34(6-48(213-37)148-9-31(3)83(169)145-110(148)180)224-234(185,186)206-16-41-68(61(162)95(217-41)152-24-122-52-76(152)130-103(114)138-87(52)173)229-239(195,196)210-20-45-72(65(166)99(221-45)156-28-126-56-80(156)134-107(118)142-91(56)177)231-241(199,200)208-18-43-69(62(163)96(219-43)153-25-123-53-77(153)131-104(115)139-88(53)174)225-235(187,188)201-11-36-33(5-47(212-36)147-8-30(2)82(168)144-109(147)179)223-233(183,184)205-15-40-66(59(160)93(216-40)150-22-120-50-74(150)128-101(112)136-85(50)171)227-237(191,192)203-13-38-57(158)58(159)92(214-38)149-21-119-49-73(149)127-100(111)135-84(49)170/h7-9,21-28,32-48,57-72,92-99,157-166H,4-6,10-20H2,1-3H3,(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,143,167,178)(H,144,168,179)(H,145,169,180)(H3,111,127,135,170)(H3,112,128,136,171)(H3,113,129,137,172)(H3,114,130,138,173)(H3,115,131,139,174)(H3,116,132,140,175)(H3,117,133,141,176)(H3,118,134,142,177)/t32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,92+,93+,94+,95+,96+,97+,98+,99+/m0/s1
    MOLECULAR FORMULA
    C110H136N46O75P10
    CROSS REFERENCES
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    canSAR1088467

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3610.56
    AlogP -14.41
    HBond donors 47
    HBond acceptors 121
    Atoms 377
    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 canSAR1088467.