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

993989 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C144H205N24O106P11
InChI
InChI=1S/C144H205N24O106P11/c1-13-217-61-229-109-97(182)74(253-121(109)157-37-25-85(170)145-133(157)183)50-241-275(195,196)265-99-76(255-123(111(99)231-63-219-15-3)159-39-27-87(172)147-135(159)185)52-243-277(199,200)267-101-78(257-125(113(101)233-65-221-17-5)161-41-29-89(174)149-137(161)187)54-245-279(203,204)269-103-80(259-127(115(103)235-67-223-19-7)163-43-31-91(176)151-139(163)189)56-247-281(207,208)271-105-82(261-129(117(105)237-69-225-21-9)165-45-33-93(178)153-141(165)191)58-249-283(211,212)273-107-84(263-131(119(107)239-71-227-23-11)167-47-35-95(180)155-143(167)193)60-251-285(215,216)274-108-83(262-132(120(108)240-72-228-24-12)168-48-36-96(181)156-144(168)194)59-250-284(213,214)272-106-81(260-130(118(106)238-70-226-22-10)166-46-34-94(179)154-142(166)192)57-248-282(209,210)270-104-79(258-128(116(104)236-68-224-20-8)164-44-32-92(177)152-140(164)190)55-246-280(205,206)268-102-77(256-126(114(102)234-66-222-18-6)162-42-30-90(175)150-138(162)188)53-244-278(201,202)266-100-75(254-124(112(100)232-64-220-16-4)160-40-28-88(173)148-136(160)186)51-242-276(197,198)264-98-73(49-169)252-122(110(98)230-62-218-14-2)158-38-26-86(171)146-134(158)184/h25-48,73-84,97-132,169,182H,13-24,49-72H2,1-12H3,(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,145,170,183)(H,146,171,184)(H,147,172,185)(H,148,173,186)(H,149,174,187)(H,150,175,188)(H,151,176,189)(H,152,177,190)(H,153,178,191)(H,154,179,192)(H,155,180,193)(H,156,181,194)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,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
CCOCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2[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](CO)O[C@@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12OCOCC)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOCC)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOCC)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOCC)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOCC)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOCC)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOCC)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOCC)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOCC)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOCC)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OCOCC)O[C@H]1n1ccc(=O)[nH]c1=O
Cross References
UniChem27207738
canSAR993989
ChEMBLCHEMBL1910644
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 4306.85023521-9.214599999999925130490Yes


Compounds with the same scaffold


Image of compound ID: 993989
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12