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

1017905 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C114H152N30O78P12S
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
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
Cross References
UniChem27298835
canSAR1017905
ChEMBLCHEMBL2057988
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 3592.542175784-4.4453831108387Yes


Compounds with the same scaffold


Image of compound ID: 1017905
Murko Scaffold Family: 16 compoundsClick here to open a new canSAR search with these compounds

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