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

706782 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C162H230N24O91P12S6
InChI
InChI=1S/C162H230N24O91P12S6/c1-79-55-175(145(206)163-127(79)188)115-43-91(103(67-187)254-115)272-284(231,237-31-37-290-139(200)157(13,14)15)249-74-110-93(45-117(261-110)177-57-81(3)129(190)165-147(177)208)267-279(221,222)244-69-105-99(51-123(256-105)183-63-87(9)135(196)171-153(183)214)274-286(233,239-33-39-292-141(202)159(19,20)21)251-76-112-95(47-119(263-112)179-59-83(5)131(192)167-149(179)210)269-281(225,226)246-71-107-101(53-125(258-107)185-65-89(11)137(198)173-155(185)216)276-288(235,241-35-41-294-143(204)161(25,26)27)253-78-114-97(49-121(265-114)181-61-85(7)133(194)169-151(181)212)271-283(229,230)247-72-108-102(54-126(259-108)186-66-90(12)138(199)174-156(186)217)277-289(236,242-36-42-295-144(205)162(28,29)30)252-77-113-96(48-120(264-113)180-60-84(6)132(193)168-150(180)211)270-282(227,228)245-70-106-100(52-124(257-106)184-64-88(10)136(197)172-154(184)215)275-287(234,240-34-40-293-142(203)160(22,23)24)250-75-111-94(46-118(262-111)178-58-82(4)130(191)166-148(178)209)268-280(223,224)243-68-104-98(50-122(255-104)182-62-86(8)134(195)170-152(182)213)273-285(232,238-32-38-291-140(201)158(16,17)18)248-73-109-92(266-278(218,219)220)44-116(260-109)176-56-80(2)128(189)164-146(176)207/h55-66,91-126,187H,31-54,67-78H2,1-30H3,(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,163,188,206)(H,164,189,207)(H,165,190,208)(H,166,191,209)(H,167,192,210)(H,168,193,211)(H,169,194,212)(H,170,195,213)(H,171,196,214)(H,172,197,215)(H,173,198,216)(H,174,199,217)(H2,218,219,220)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,284?,285?,286?,287?,288?,289?/m0/s1
Smiles
Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)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)(OCCSC(=O)C(C)(C)C)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)(OCCSC(=O)C(C)(C)C)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)(OCCSC(=O)C(C)(C)C)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)(OCCSC(=O)C(C)(C)C)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)(OCCSC(=O)C(C)(C)C)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
Cross References
UniChem631832
canSAR706782
ChEMBLCHEMBL1160759
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 4530.928329348.7154420115525Yes


Compounds with the same scaffold


Image of compound ID: 706782
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12