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

726459 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C163H232N24O97P12S6
InChI
InChI=1S/C163H232N24O97P12S6/c1-79-60-181(151(212)169-127(79)194)109-54-86(93(261-109)68-250-286(222,223)283-119-102(272-139(126(119)243-31)187-66-85(7)133(200)175-157(187)218)77-254-289(228,229)282-117-100(269-136(123(117)240-28)178-39-34-106(191)166-148(178)209)75-252-287(224,225)280-115-92(67-188)267-134(121(115)238-26)176-37-32-104(189)164-146(176)207)273-291(232,244-42-48-297-140(201)158(8,9)10)255-69-94-87(55-110(262-94)182-61-80(2)128(195)170-152(182)213)274-292(233,245-43-49-298-141(202)159(11,12)13)256-70-95-88(56-111(263-95)183-62-81(3)129(196)171-153(183)214)275-293(234,246-44-50-299-142(203)160(14,15)16)257-71-96-89(57-112(264-96)184-63-82(4)130(197)172-154(184)215)276-294(235,247-45-51-300-143(204)161(17,18)19)258-72-97-90(58-113(265-97)185-64-83(5)131(198)173-155(185)216)277-295(236,248-46-52-301-144(205)162(20,21)22)259-73-98-91(59-114(266-98)186-65-84(6)132(199)174-156(186)217)278-296(237,249-47-53-302-145(206)163(23,24)25)260-78-103-120(125(242-30)138(271-103)180-41-36-108(193)168-150(180)211)284-290(230,231)253-76-101-118(124(241-29)137(270-101)179-40-35-107(192)167-149(179)210)281-288(226,227)251-74-99-116(279-285(219,220)221)122(239-27)135(268-99)177-38-33-105(190)165-147(177)208/h32-41,60-66,86-103,109-126,134-139,188H,42-59,67-78H2,1-31H3,(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(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)(H,175,200,218)(H2,219,220,221)/t86-,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,134+,135+,136+,137+,138+,139+,291?,292?,293?,294?,295?,296?/m0/s1
Smiles
CO[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@@H]2[C@@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@@H]4[C@@H](COP(=O)(O)O[C@@H]5[C@@H](COP(=O)(O)O[C@@H]6[C@@H](CO)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OC)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OC)O[C@@H](n5cc(C)c(=O)[nH]c5=O)[C@@H]4OC)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OC)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OC)O[C@H]1n1ccc(=O)[nH]c1=O
Cross References
UniChem457354
canSAR726459
ChEMBLCHEMBL1160751
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 4640.9134671244.9227420121534Yes


Compounds with the same scaffold


Image of compound ID: 726459
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12