1085080 logo
canSAR1085080
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=S)[nH]c(N)nc54)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](n4cnc5c(=S)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=S)[nH]c(N)nc54)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](n4cnc5c(=S)[nH]c(N)nc54)C[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/C110H136N46O61P10S7/c1-36-14-146(108(164)136-88(36)160)60-4-39(49(17-157)197-60)208-218(167,168)187-20-52-42(7-63(200-52)149-28-120-71-81(149)128-101(112)139-92(71)228)213-223(177,178)192-24-56-46(11-67(204-56)153-32-124-75-85(153)132-105(116)143-96(75)232)215-225(181,182)193-22-54-43(8-64(202-54)150-29-121-72-82(150)129-102(113)140-93(72)229)211-221(173,174)188-18-50-40(5-61(198-50)147-15-37(2)89(161)137-109(147)165)209-219(169,170)190-21-53-45(10-66(201-53)152-31-123-74-84(152)131-104(115)142-95(74)231)214-224(179,180)195-25-57-47(12-68(205-57)154-33-125-76-86(154)133-106(117)144-97(76)233)216-226(183,184)194-23-55-44(9-65(203-55)151-30-122-73-83(151)130-103(114)141-94(73)230)212-222(175,176)189-19-51-41(6-62(199-51)148-16-38(3)90(162)138-110(148)166)210-220(171,172)191-26-58-48(13-69(206-58)155-34-126-77-87(155)134-107(118)145-98(77)234)217-227(185,186)196-27-59-78(158)79(159)99(207-59)156-35-119-70-80(156)127-100(111)135-91(70)163/h14-16,28-35,39-69,78-79,99,157-159H,4-13,17-27H2,1-3H3,(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,136,160,164)(H,137,161,165)(H,138,162,166)(H3,111,127,135,163)(H3,112,128,139,228)(H3,113,129,140,229)(H3,114,130,141,230)(H3,115,131,142,231)(H3,116,132,143,232)(H3,117,133,144,233)(H3,118,134,145,234)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,78+,79+,99+/m0/s1
    MOLECULAR FORMULA
    C110H136N46O61P10S7
    CROSS REFERENCES
    1085080 logo

    canSAR1085080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3610.44
    AlogP 2.38
    HBond donors 40
    HBond acceptors 107
    Atoms 370
    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 canSAR1085080.