小分子和化合物库
选项
-
SKF 38393 氢溴酸盐CAS号: 20012-10-6 Compound CID : 12928470分子式: C16H17NO2.HBr 分子量: 336.23IUPAC Name: 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromideSMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.BrInChIKey: INNWVRBZMBCEJI-UHFFFAOYSA-NInChI: 1S/C16H17NO2.BrH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H
-
SK 609,多巴胺D3受体偏置激动剂CAS号: 1092797-77-7 Compound CID : 146018969分子式: C10H15Cl2N 分子量: 220.14IUPAC Name: 4-(2-chlorophenyl)butan-2-amine;hydrochlorideSMILES: CC(CCC1=CC=CC=C1Cl)N.ClInChIKey: NVCYSMVSGDVJQR-UHFFFAOYSA-NInChI: 1S/C10H14ClN.ClH/c1-8(12)6-7-9-4-2-3-5-10(9)11;/h2-5,8H,6-7,12H2,1H3;1H
-
西维来司钠CAS号: 150374-95-1 Compound CID : 23664980分子式: C20H21N2NaO7S 分子量: 456.44IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetateSMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-MInChI: 1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
-
SIB 1508Y马来酸盐CAS号: 192231-16-6 Compound CID : 11954277分子式: C12H14N2.C4H4O4 分子量: 302.33IUPAC Name: (Z)-but-2-enedioic acid;3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridineSMILES: CN1CCCC1C2=CN=CC(=C2)C#C.C(=CC(=O)O)C(=O)OInChIKey: BCPPKHPWLRPWBJ-OURKGEEVSA-NInChI: 1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1
-
Shz 1,多能干细胞中早期心脏基因的激活剂CAS号: 326886-05-9 Compound CID : 135446537分子式: C13H11BrN2O3S 分子量: 355.21IUPAC Name: N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamideSMILES: C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)Br)OInChIKey: OEMCLQLAWYKPRK-OQLLNIDSSA-NInChI: 1S/C13H11BrN2O3S/c14-11-6-7-13(17)10(8-11)9-15-16-20(18,19)12-4-2-1-3-5-12/h1-9,16-17H/b15-9+
-
(S)-(-)-HA-966,NMDA拮抗剂/部分激动剂CAS号: 111821-58-0 Compound CID : 183351分子式: C4H8N2O2 分子量: 116.12IUPAC Name: (3S)-3-amino-1-hydroxypyrrolidin-2-oneSMILES: C1CN(C(=O)C1N)OInChIKey: HCKUBNLZMKAEIN-VKHMYHEASA-NInChI: 1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m0/s1
-
SGS 518 草酸盐CAS号: 445441-27-0 Compound CID : 71433764分子式: C21H22F2N2O3S.C2H2O4 分子量: 510.51IUPAC Name: [1-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate;oxaldehydic acidSMILES: CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C.C(=O)C(=O)OInChIKey: QFZRGMRDHHDVBY-UHFFFAOYSA-NInChI: 1S/C21H22F2N2O3S.C2H2O3/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23;3-1-2(4)5/h3-7,12-14H,8-11H2,1-2H3;1H,(H,4,5)
-
SDZ NKT 343,人类NK1拮抗剂CAS号: 180046-99-5 Compound CID : 9851211分子式: C33H33N5O5 分子量: 579.65IUPAC Name: (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamideSMILES: CN(CC1=CC=CC=C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-]InChIKey: PCVSIMQAFWRUEC-JDXGNMNLSA-NInChI: See more
-
SDZ 220-581,竞争性NMDA拮抗剂CAS号: 174575-17-8 Compound CID : 128019分子式: C16H17ClNO5P 分子量: 369.74IUPAC Name: (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acidSMILES: C1=CC=C(C(=C1)C2=CC(=CC(=C2)CP(=O)(O)O)CC(C(=O)O)N)ClInChIKey: VBRJFXSFCYEZMQ-HNNXBMFYSA-NInChI: 1S/C16H17ClNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1
-
SC 144 盐酸盐CAS号: 917497-70-2 Compound CID : 66921431分子式: C16H11FN6O•HCl 分子量: 358.76IUPAC Name: N'-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide;hydrochlorideSMILES: C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4.ClInChIKey: LKFGGXYXFIICED-UHFFFAOYSA-NInChI: 1S/C16H11FN6O.ClH/c17-10-3-4-13-11(8-10)20-15(14-2-1-7-23(13)14)21-22-16(24)12-9-18-5-6-19-12;/h1-9H,(H,20,21)(H,22,24);1H
-
SCH 529074,恢复突变体p53活性CAS号: 922150-11-6 Compound CID : 12001922分子式: C31H36Cl2N6 分子量: 563.56IUPAC Name: N-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamineSMILES: CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)ClInChIKey: NCAJLQDPTZBGJV-UHFFFAOYSA-NInChI: 1S/C31H36Cl2N6/c1-37(2)17-5-16-34-31-27-6-3-4-7-28(27)35-29(36-31)22-38-18-20-39(21-19-38)30(23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h3-4,6-15,30H,5,16-22H2,1-2H3,(H,34,35,36)
-
(S)-3-羧基-4-羟基苯基甘氨酸CAS号: 55136-48-6 Compound CID : 5311460分子式: C9H9NO5 分子量: 211.17IUPAC Name: 5-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acidSMILES: C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)OInChIKey: CHZBCZTXSTWCIG-ZETCQYMHSA-NInChI: 1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
首页
400-620-6333











