Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1019463 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C115H153N29O80P12
InChI
InChI=1S/C115H153N29O80P12/c1-49-30-138(109(158)126-97(49)146)90-19-57(213-225(165,166)167)69(206-90)38-190-227(170,171)215-59-21-87(135-15-10-82(118)123-106(135)155)203-71(59)40-192-229(174,175)217-60-22-88(136-16-11-83(119)124-107(136)156)205-73(60)42-194-231(178,179)219-62-24-91(139-31-50(2)98(147)127-110(139)159)208-75(62)44-196-233(182,183)221-64-26-93(141-33-52(4)100(149)129-112(141)161)210-77(64)46-198-235(186,187)223-66-28-95(143-35-54(6)102(151)131-114(143)163)212-79(66)48-200-236(188,189)224-67-29-96(144-36-55(7)103(152)132-115(144)164)211-78(67)47-199-234(184,185)222-65-27-94(142-34-53(5)101(150)130-113(142)162)209-76(65)45-197-232(180,181)220-63-25-92(140-32-51(3)99(148)128-111(140)160)207-74(63)43-195-230(176,177)218-61-23-89(137-17-12-84(120)125-108(137)157)204-72(61)41-193-228(172,173)216-58-20-86(134-14-9-81(117)122-105(134)154)202-70(58)39-191-226(168,169)214-56-18-85(201-68(56)37-145)133-13-8-80(116)121-104(133)153/h8-17,30-36,56-79,85-96,145H,18-29,37-48H2,1-7H3,(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H2,116,121,153)(H2,117,122,154)(H2,118,123,155)(H2,119,124,156)(H2,120,125,157)(H,126,146,158)(H,127,147,159)(H,128,148,160)(H,129,149,161)(H,130,150,162)(H,131,151,163)(H,132,152,164)(H2,165,166,167)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+/m0/s1
Smiles
Cc1cn([C@H]2C[C@H](OP(=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](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=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]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
Cross References
UniChem27290685
canSAR1019463
ChEMBLCHEMBL2057334
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 3591.564685056-5.3633631109389No