小分子和化合物库
选项
-
他扎罗汀酸CAS号: 118292-41-4 Compound CID : 147525分子式: C19H17NO2S 分子量: 323.41IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acidSMILES: CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)CInChIKey: IQIBKLWBVJPOQO-UHFFFAOYSA-NInChI: 1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
-
ZK 93423 盐酸盐CAS号: 1216574-52-5 Compound CID : 56972166分子式: C23H22N2O4.HCl 分子量: 426.9IUPAC Name: ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochlorideSMILES: CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4.ClInChIKey: KHMDBPAODAAMBQ-UHFFFAOYSA-NInChI: 1S/C23H22N2O4.ClH/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22;/h4-12,25H,3,13-14H2,1-2H3;1H
-
ZD 7155 盐酸盐CAS号: 146709-78-6 Compound CID : 9826191分子式: C₂₆H₂₆N₆O.HCl 分子量: 474.99IUPAC Name: 5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one;hydrochlorideSMILES: CCC1=CC2=C(CCC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=N1)CC.ClInChIKey: NAGGAAHTUXEGFG-UHFFFAOYSA-NInChI: 1S/C26H26N6O.ClH/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26;/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31);1H
-
ZD 9379,脑渗透NMDA拮抗剂CAS号: 170142-20-8 Compound CID : 9843028分子式: C19H14ClN3O4 分子量: 383.79IUPAC Name: 7-chloro-2-(4-methoxy-2-methylphenyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trioneSMILES: CC1=C(C=CC(=C1)OC)N2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)ClInChIKey: PSTDMIAVUUYOOQ-UHFFFAOYSA-NInChI: 1S/C19H14ClN3O4/c1-9-7-11(27-2)4-6-14(9)23-19(26)15-16(18(25)22-23)21-13-8-10(20)3-5-12(13)17(15)24/h3-8H,1-2H3,(H,21,24)(H,22,25)
-
YNT 185 dihydrochlorideCAS号: 1804978-82-2 Compound CID : 140307520分子式: C33H37N5O5S.2HCl 分子量: 688.66IUPAC Name: 2-(dimethylamino)-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide;dihydrochlorideSMILES: CN(C)C1=CC=CC=C1C(=O)NCCNC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC.Cl.ClInChIKey: AIORBDHFHVKRIY-UHFFFAOYSA-NInChI: See more
-
YM-244769二盐酸盐CAS号: 1780390-65-9 Compound CID : 90488952分子式: C26H22FN3O3•2HCl 分子量: 516.39IUPAC Name: N-[(3-aminophenyl)methyl]-6-[4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide;dihydrochlorideSMILES: C1=CC(=CC(=C1)N)CNC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC(=CC=C4)F.Cl.ClInChIKey: OCKIUNLKEPKCRE-UHFFFAOYSA-NInChI: 1S/C26H22FN3O3.2ClH/c27-21-5-1-4-19(13-21)17-32-23-8-10-24(11-9-23)33-25-12-7-20(16-29-25)26(31)30-15-18-3-2-6-22(28)14-18;;/h1-14,16H,15,17,28H2,(H,30,31);2*1H
-
YIL 781 盐酸盐CAS号: 1640226-17-0 Compound CID : 74889155分子式: C24H29ClFN3O2 分子量: 445.96IUPAC Name: 6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one;hydrochlorideSMILES: CC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)F)C(=O)N1CC4CCCN(C4)C(C)C.ClInChIKey: QQGRMONBDBMLSP-FERBBOLQSA-NInChI: 1S/C24H28FN3O2.ClH/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20;/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3;1H/t18-;/m0./s1
-
YH 239-EE,MDM2抑制剂CAS号: 1364488-67-4 Compound CID : 56943013分子式: C25H27Cl2N3O4 分子量: 504.41IUPAC Name: ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylateSMILES: CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=OInChIKey: OTUBDDRFPQLPKD-UHFFFAOYSA-NInChI: 1S/C25H27Cl2N3O4/c1-5-34-24(33)21-20(18-11-10-17(27)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-8-16(26)9-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
-
YE 120,GPR35激动剂CAS号: 383124-82-1 Compound CID : 12138435分子式: C16H9Cl2N3O 分子量: 330.17IUPAC Name: 2-[3-cyano-5-(3,4-dichlorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrileSMILES: CC1=C(C(=C(C#N)C#N)OC1(C)C2=CC(=C(C=C2)Cl)Cl)C#NInChIKey: RSWZFAPYKOARNG-UHFFFAOYSA-NInChI: 1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
-
Y-26763,Kir6(KATP)通道开启器CAS号: 127408-31-5 Compound CID : 121878分子式: C14H16N2O4 分子量: 276.29IUPAC Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-hydroxyacetamideSMILES: CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OInChIKey: IWTCFIIOUXJOOV-OLZOCXBDSA-NInChI: 1S/C14H16N2O4/c1-8(17)16(19)12-10-6-9(7-15)4-5-11(10)20-14(2,3)13(12)18/h4-6,12-13,18-19H,1-3H3/t12-,13+/m1/s1
-
XY 018,RORγ拮抗剂CAS号: 1873358-87-2 Compound CID : 130248006分子式: C23H15F7N2O4 分子量: 516.36IUPAC Name: N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(2-nitrophenyl)acetamideSMILES: C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)[N+](=O)[O-]InChIKey: MNVXADPCMINSEC-UHFFFAOYSA-NInChI: 1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
-
XAC,腺苷受体拮抗剂CAS号: 1962928-23-9 Compound CID : 121513846分子式: C21H28N6O4·2HCl 分子量: 501.41IUPAC Name: N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide;dihydrochlorideSMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN.Cl.ClInChIKey: KGNTWECSNGWFKE-UHFFFAOYSA-NInChI: 1S/C21H28N6O4.2ClH/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22;;/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25);2*1H
首页
400-620-6333











