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

716090 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C162H230N24O85P12S12
InChI
InChI=1S/C162H230N24O85P12S12/c1-79-55-175(145(206)163-127(79)188)115-43-91(103(67-187)248-115)261-273(220,231-31-37-290-139(200)157(13,14)15)238-69-105-98(50-122(250-105)182-62-86(8)134(195)170-152(182)213)267-279(226,285)244-75-111-94(46-118(256-111)178-58-82(4)130(191)166-148(178)209)263-275(222,233-33-39-292-141(202)159(19,20)21)240-71-107-100(52-124(252-107)184-64-88(10)136(197)172-154(184)215)269-281(228,287)246-77-113-96(48-120(258-113)180-60-84(6)132(193)168-150(180)211)265-277(224,235-35-41-294-143(204)161(25,26)27)242-73-109-102(54-126(254-109)186-66-90(12)138(199)174-156(186)217)271-283(230,289)247-78-114-97(49-121(259-114)181-61-85(7)133(194)169-151(181)212)266-278(225,236-36-42-295-144(205)162(28,29)30)241-72-108-101(53-125(253-108)185-65-89(11)137(198)173-155(185)216)270-282(229,288)245-76-112-95(47-119(257-112)179-59-83(5)131(192)167-149(179)210)264-276(223,234-34-40-293-142(203)160(22,23)24)239-70-106-99(51-123(251-106)183-63-87(9)135(196)171-153(183)214)268-280(227,286)243-74-110-93(45-117(255-110)177-57-81(3)129(190)165-147(177)208)262-274(221,232-32-38-291-140(201)158(16,17)18)237-68-104-92(260-272(218,219)284)44-116(249-104)176-56-80(2)128(189)164-146(176)207/h55-66,91-126,187H,31-54,67-78H2,1-30H3,(H,226,285)(H,227,286)(H,228,287)(H,229,288)(H,230,289)(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)(H2,218,219,284)/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+,273?,274?,275?,276?,277?,278?,279?,280?,281?,282?,283?/m0/s1
Smiles
Cc1cn([C@H]2C[C@H](OP(=O)(O)S)[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)(S)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)(S)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)(S)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)(S)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)(S)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
UniChem563393
canSAR716090
ChEMBLCHEMBL1160758
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 4626.7912676214.3404414109525Yes


Compounds with the same scaffold


Image of compound ID: 716090
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12