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

995204 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C132H181N24O106P11
InChI
InChI=1S/C132H181N24O106P11/c1-205-49-217-97-85(170)62(241-109(97)145-25-13-73(158)133-121(145)171)38-229-263(183,184)253-87-64(243-111(99(87)219-51-207-3)147-27-15-75(160)135-123(147)173)40-231-265(187,188)255-89-66(245-113(101(89)221-53-209-5)149-29-17-77(162)137-125(149)175)42-233-267(191,192)257-91-68(247-115(103(91)223-55-211-7)151-31-19-79(164)139-127(151)177)44-235-269(195,196)259-93-70(249-117(105(93)225-57-213-9)153-33-21-81(166)141-129(153)179)46-237-271(199,200)261-95-72(251-119(107(95)227-59-215-11)155-35-23-83(168)143-131(155)181)48-239-273(203,204)262-96-71(250-120(108(96)228-60-216-12)156-36-24-84(169)144-132(156)182)47-238-272(201,202)260-94-69(248-118(106(94)226-58-214-10)154-34-22-82(167)142-130(154)180)45-236-270(197,198)258-92-67(246-116(104(92)224-56-212-8)152-32-20-80(165)140-128(152)178)43-234-268(193,194)256-90-65(244-114(102(90)222-54-210-6)150-30-18-78(163)138-126(150)176)41-232-266(189,190)254-88-63(242-112(100(88)220-52-208-4)148-28-16-76(161)136-124(148)174)39-230-264(185,186)252-86-61(37-157)240-110(98(86)218-50-206-2)146-26-14-74(159)134-122(146)172/h13-36,61-72,85-120,157,170H,37-60H2,1-12H3,(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,133,158,171)(H,134,159,172)(H,135,160,173)(H,136,161,174)(H,137,162,175)(H,138,163,176)(H,139,164,177)(H,140,165,178)(H,141,166,179)(H,142,167,180)(H,143,168,181)(H,144,169,182)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,85-,86-,87-,88-,89-,90-,91-,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-/m1/s1
Smiles
COCO[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]%12OCOC)O[C@@H](n%12ccc(=O)[nH]c%12=O)[C@@H]%11OCOC)O[C@@H](n%11ccc(=O)[nH]c%11=O)[C@@H]%10OCOC)O[C@@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9OCOC)O[C@@H](n9ccc(=O)[nH]c9=O)[C@@H]8OCOC)O[C@@H](n8ccc(=O)[nH]c8=O)[C@@H]7OCOC)O[C@@H](n7ccc(=O)[nH]c7=O)[C@@H]6OCOC)O[C@@H](n6ccc(=O)[nH]c6=O)[C@@H]5OCOC)O[C@@H](n5ccc(=O)[nH]c5=O)[C@@H]4OCOC)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3OCOC)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OCOC)O[C@H]1n1ccc(=O)[nH]c1=O
Cross References
UniChem27221666
canSAR995204
ChEMBLCHEMBL1910890
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 4138.662434442-13.895825130454Yes


Compounds with the same scaffold


Image of compound ID: 995204
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12