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fsp3_enriched_screening_compound_library
/library/fsp3_enriched_screening_compound_library
富含 Fsp³ 的筛选化合物库
Fsp³-enriched Screening Compound Library
产品编号: LF7100

Fsp3丰富的筛选化合物库包含超过51,000个富含 sp3杂化碳原子、非平面化的筛选化合物。近期的研究表明,在研发阶段,220万个化合物的平均 Fsp3值(Fsp3饱和度=Fsp3杂化碳原子数/总碳原子数)为0.36,而1179个已批准药物的平均 Fsp3值为0.47。结合低分子量和 ClogP 值,更高的 Fsp3值会导致化合物具有更高的生物利用度和特异性,因此使它们在药物发现过程中更具吸引力。Fsp3丰富的筛选化合物库的设计是为了响应近期的研究发现,这些研究发现有机化合物的分子复杂性和手性中心在其成为合适的药物候选物方面起着重要作用。

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产品规格

In a recent study, it has been shown that the mean Fsp3 (saturation degree Fsp3 = number of sp3 hybridized carbons / total carbon count) increases from 0.36 for 2.2 million molecules at the development stage to 0.47 for 1,179 approved drugs. Combined with low molecular weight and ClogP values, a higher Fsp3 count leads to higher bioavailability and specificity of compounds, thus making them attractive for the drug discovery process. Library Design In order to create this Library of drug-like sp3-enriched molecules, we have selected molecules from the Life Chemicals HTS Compound Collection with applied Fsp3 cut-off at over 0.45 and the following physicochemical parameters, derived as a result of combined analysis of publications on this subject:

化合物库定制
我们的化合物库可以灵活定制!了解更多
化合物库咨询
化合物库组成
化合物库信息示例
Empty 1000025-07-9 1000413-72-8 229005-80-5 1000787-75-6 946387-07-1 1000998-59-3 1175526-27-8 1001288-58-9 1001350-96-4 1001404-83-6 Empty
Vadadustat TAK875 TAK-779 Tegobuvir RN-1734 BMS-687453 AM211 FT011 BMS754807 AAI101
Empty 1001625-82-6 1001645-58-4 1001753-24-7 1001908-89-9 1002304-34-8 1002-84-2 100291-86-9 100299-08-9 10030-52-1 10040-45-6 Empty
RPW-24 SRT1720 hydrochloride INH6 SRT 2183 AMG208 Pentadecanoic acid Apiopaeonoside Pemirolast potassium L-Anserine nitrate salt Sodium Picosulfate
Empty 100427-26-7 1004316-88-4 10045-45-1 100462-37-1 1004990-28-6 100-51-6 1005-24-9 1005264-47-0 1005334-57-5 1005342-46-0 Empty
Lercanidipine Cobicistat 1-Ethyl-2-benzimidazolinone ROSIRIDIN PF-AKT400 Benzyl alcohol 1-Methylnicotinamide chloride MX69 CVT-10216 LCL161
Empty 1005491-05-3 100-55-0 1005504-62-0 1005883-72-6 100643-71-8 1007207-67-1 10075-50-0 1007647-73-5 100784-20-1 10083-24-6 Empty
Tirasemtiv Roniacol Rg3039 Z433927330 Desloratadine CH5132799 5-Bromoindole Smurf1-IN-A01 Halosulfuron-methyl Piceatannol
Empty 100872-83-1 100874-08-6 1009119-64-5 1009119-65-6 100929-71-3 1009298-09-2 1009298-59-2 100929-99-5 1009734-33-1 10097-84-4 Empty
ML346 SB 4 Daclatasvir Daclatasvir dihydrochloride NADPH (tetracyclohexanamine) AZD8055 Vistusertib PAβN dihydrochloride HZ1157 Rotundine
Empty 1009816-48-1 1009817-63-3 1009820-21-6 100986-85-4 101001-34-7 1010411-21-8 1010-60-2 1011244-68-0 1011301-27-1 1011529-10-4 Empty
Thiamet G B-AP15 Silmitasertib Levofloxacin Pamicogrel GSK369796 Dihydrochloride 2-Chloronaphthoquinone TFAP Tenovin3 Azvudine
Empty 101152-94-7 101155-02-6 1011557-82-6 1011-74-1 101-20-2 1012054-59-9 101-21-3 101-26-8 101303-98-4 1013101-36-4 Empty
Milnacipran hydrochloride BW-A78U Tenovin-6 DL-Normetanephrine hydrochloride Triclocarban CUDC101 Chlorpropham Mestinon Zacopride hydrochloride PF04691502
Empty 101-31-5 1013-69-0 1013750-77-0 1013753-99-5 10138-52-0 1013920-15-4 1013937-63-7 1014691-61-2 101477-54-7 101494-95-5 Empty
L-Hyoscyamine Noreugenin ML-030 BC-1382 Gadolinium chloride Vorolanib VTP-27999 TFA GSK0660 Lomerizine hydrochloride 8-CHLOROQUINAZOLIN-4(1H)-ONE
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