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

1008998 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C144H181Cl24N24O106P11
InChI
InChI=1S/C144H181Cl24N24O106P11/c145-73(146)37-241-49-253-109-97(206)62(277-121(109)181-13-1-85(194)169-133(181)207)26-265-299(219,220)289-99-64(279-123(111(99)255-51-243-39-75(149)150)183-15-3-87(196)171-135(183)209)28-267-301(223,224)291-101-66(281-125(113(101)257-53-245-41-77(153)154)185-17-5-89(198)173-137(185)211)30-269-303(227,228)293-103-68(283-127(115(103)259-55-247-43-79(157)158)187-19-7-91(200)175-139(187)213)32-271-305(231,232)295-105-70(285-129(117(105)261-57-249-45-81(161)162)189-21-9-93(202)177-141(189)215)34-273-307(235,236)297-107-72(287-131(119(107)263-59-251-47-83(165)166)191-23-11-95(204)179-143(191)217)36-275-309(239,240)298-108-71(286-132(120(108)264-60-252-48-84(167)168)192-24-12-96(205)180-144(192)218)35-274-308(237,238)296-106-69(284-130(118(106)262-58-250-46-82(163)164)190-22-10-94(203)178-142(190)216)33-272-306(233,234)294-104-67(282-128(116(104)260-56-248-44-80(159)160)188-20-8-92(201)176-140(188)214)31-270-304(229,230)292-102-65(280-126(114(102)258-54-246-42-78(155)156)186-18-6-90(199)174-138(186)212)29-268-302(225,226)290-100-63(278-124(112(100)256-52-244-40-76(151)152)184-16-4-88(197)172-136(184)210)27-266-300(221,222)288-98-61(25-193)276-122(110(98)254-50-242-38-74(147)148)182-14-2-86(195)170-134(182)208/h1-24,61-84,97-132,193,206H,25-60H2,(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,169,194,207)(H,170,195,208)(H,171,196,209)(H,172,197,210)(H,173,198,211)(H,174,199,212)(H,175,200,213)(H,176,201,214)(H,177,202,215)(H,178,203,216)(H,179,204,217)(H,180,205,218)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,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-,127-,128-,129-,130-,131-,132-/m1/s1
Smiles
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](COP(=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](COP(=O)(O)O[C@@H]7[C@@H](COP(=O)(O)O[C@@H]8[C@@H](COP(=O)(O)O[C@@H]9[C@@H](COP(=O)(O)O[C@@H]%10[C@@H](COP(=O)(O)O[C@@H]%11[C@@H](COP(=O)(O)O[C@@H]%12[C@@H](COP(=O)(O)O[C@@H]%13[C@@H](CO)O[C@@H](n%14ccc(=O)[nH]c%14=O)[C@@H]%13OCOCC(Cl)Cl)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12OCOCC(Cl)Cl)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOCC(Cl)Cl)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOCC(Cl)Cl)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOCC(Cl)Cl)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOCC(Cl)Cl)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOCC(Cl)Cl)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOCC(Cl)Cl)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOCC(Cl)Cl)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOCC(Cl)Cl)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOCC(Cl)Cl)[C@@H](O)[C@H]2OCOCC(Cl)Cl)c(=O)[nH]1
Cross References
UniChem27245767
canSAR1008998
ChEMBLCHEMBL1910646
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 5121.9148987620.1909999999999925130490Yes


Compounds with the same scaffold


Image of compound ID: 1008998
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12