小分子和化合物库
选项
-
L-152,804,非肽NPY Y5受体拮抗剂CAS号: 6508-43-6分子式: C23H26O4 分子量: 366.46IUPAC Name: 2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dioneSMILES: CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)CInChIKey: XQDXIHYKAGHZRX-UHFFFAOYSA-NInChI: 1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
-
L-817,818,SST5激动剂CAS号: 217480-27-8 Compound CID : 9937014分子式: C33H36N4O3 分子量: 536.67IUPAC Name: [(2S)-2-aminopropyl] (2R)-6-amino-2-[[2-(2-naphthalen-2-yl-1H-benzo[g]indol-3-yl)acetyl]amino]hexanoateSMILES: CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)NInChIKey: NFVRGDRCCNEGBS-KCWXNJEJSA-NInChI: See more
-
K 858,有丝分裂驱动蛋白Eg5抑制剂CAS号: 72926-24-0分子式: C13H15N3O2S 分子量: 277.34IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamideSMILES: CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)CInChIKey: JEFVYQYZCAVNTP-UHFFFAOYSA-NInChI: 1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
-
JW 74,Wnt通路抑制剂CAS号: 863405-60-1分子式: C24H20N6O2S 分子量: 456.52IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazoleSMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5InChIKey: KRIKILRRJCIWNB-UHFFFAOYSA-NInChI: 1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3
-
JTE 907,CB2受体反向激动剂CAS号: 282089-49-0分子式: C24H26N2O6 分子量: 438.48IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamideSMILES: CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OCInChIKey: GRAJFFFXJYFVOC-UHFFFAOYSA-NInChI: 1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
-
JNJ 5207852 二盐酸盐CAS号: 1782228-76-5 Compound CID : 90488903分子式: C20H34Cl2N2O 分子量: 389.4IUPAC Name: 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine;dihydrochlorideSMILES: C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3.Cl.ClInChIKey: RLLXSVVZCGBIJR-UHFFFAOYSA-NInChI: 1S/C20H32N2O.2ClH/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22;;/h8-11H,1-7,12-18H2;2*1H
-
JLK 6,γ-分泌酶介导的βAPP加工抑制剂CAS号: 62252-26-0分子式: C10H8ClNO3 分子量: 225.63IUPAC Name: 7-amino-4-chloro-3-methoxyisochromen-1-oneSMILES: COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)ClInChIKey: AMDGKLWVCUXONP-UHFFFAOYSA-NInChI: 1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3
-
J 104129 富马酸盐CAS号: 257603-40-0 Compound CID : 56972189分子式: C24H36N2O2•C4H4O4 分子量: 500.63IUPAC Name: (E)-but-2-enedioic acid;(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamideSMILES: CC(=CCCN1CCC(CC1)NC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.C(=CC(=O)O)C(=O)OInChIKey: HUCQUCITPHOUAC-DSSYAJFBSA-NInChI: See more
-
IT1t二盐酸盐CAS号: 1092776-63-0 Compound CID : 25178351分子式: C21H34N4S2•2HCl 分子量: 479.57IUPAC Name: (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate;dihydrochlorideSMILES: CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C.Cl.ClInChIKey: HFXJOXOIINQOEB-UHFFFAOYSA-NInChI: 1S/C21H34N4S2.2ClH/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17;;/h14,16-17H,3-13,15H2,1-2H3,(H,22,23);2*1H
-
5-碘-A-85380 二盐酸盐CAS号: 1217837-17-6 Compound CID : 54758463分子式: C9H11IN2O•2HCl 分子量: 363.03IUPAC Name: 3-[[(2S)-azetidin-2-yl]methoxy]-5-iodopyridine;dihydrochlorideSMILES: C1CNC1COC2=CC(=CN=C2)I.Cl.ClInChIKey: ZJVVFYWEBSHGBV-JZGIKJSDSA-NInChI: 1S/C9H11IN2O.2ClH/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8;;/h3-5,8,12H,1-2,6H2;2*1H/t8-;;/m0../s1
-
INH1,Hec1抑制剂CAS号: 1780260-01-6 Compound CID : 71307591分子式: C18H16N2OS.HCl 分子量: 344.86IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide;hydrochlorideSMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C.ClInChIKey: DYJVVODHGPIUPM-UHFFFAOYSA-NInChI: 1S/C18H16N2OS.ClH/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14;/h3-11H,1-2H3,(H,19,20,21);1H
-
Indatraline hydrochloride,5-HT摄取抑制剂CAS号: 96850-13-4 Compound CID : 10314472分子式: C16H15Cl2N•HCl 分子量: 328.67IUPAC Name: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochlorideSMILES: CNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.ClInChIKey: QICQDZXGZOVTEF-MELYUZJYSA-NInChI: 1S/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H/t13-,16+;/m0./s1
首页
400-620-6333











