小分子和化合物库
选项
-
CS 2100,S1P1激动剂CAS号: 913827-99-3分子式: C25H23N3O4S 分子量: 461.53IUPAC Name: 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acidSMILES: CCC1=C(SC(=C1)CN2CC(C2)C(=O)O)C3=NOC(=N3)C4=CC=C(C=C4)OC5=CC=CC=C5InChIKey: DWVJASHDNJMDNH-UHFFFAOYSA-NInChI: 1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
-
10-Cl-BBQCAS号: 23982-76-5分子式: C18H9ClN2O 分子量: 304.73IUPAC Name: 7-chloro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-oneSMILES: C1=CC2=C3C(=C1)C4=NC5=C(N4C(=O)C3=CC=C2)C=C(C=C5)ClInChIKey: ZJESJVGSDQOZAT-UHFFFAOYSA-NInChI: 1S/C18H9ClN2O/c19-11-7-8-14-15(9-11)21-17(20-14)12-5-1-3-10-4-2-6-13(16(10)12)18(21)22/h1-9H
-
C-176, STING 抑制剂CAS号: 314054-00-7分子式: C11H7IN2O4 分子量: 358.09IUPAC Name: N-(4-iodophenyl)-5-nitrofuran-2-carboxamideSMILES: C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])IInChIKey: JBIKQXOZLBLMKI-UHFFFAOYSA-NInChI: 1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
-
BMS 961,RARγ激动剂CAS号: 185629-22-5分子式: C23H26FNO4 分子量: 399.46IUPAC Name: 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)CInChIKey: AANFHDFOMFRLLR-UHFFFAOYSA-NInChI: 1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
-
Bioymifi,DR5(TRAIL受体)激动剂CAS号: 1420071-30-2分子式: C22H12BrN3O4S 分子量: 494.32IUPAC Name: 5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dioneSMILES: C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)SC2=N)BrInChIKey: ULBOWKXOFOTCMU-NLDKGBHCSA-NInChI: 1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
-
AZD 5582 二盐酸盐CAS号: 1883545-51-4 Compound CID : 90489014分子式: C58H78N8O8.2HCl 分子量: 1088.21IUPAC Name: See moreSMILES: CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3C(CC4=CC=CC=C34)OCC#CC#CCOC5CC6=CC=CC=C6C5NC(=O)C7CCCN7C(=O)C(C8CCCCC8)NC(=O)C(C)NC)NC.Cl.ClInChIKey: DAILKFFMJFAUCE-GXSVUDMFSA-NInChI: See more
-
AT 1015,长效5-HT2拮抗剂CAS号: 190508-50-0分子式: C29H33N3O2•HCl 分子量: 492.05IUPAC Name: 1-formyl-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]piperidine-4-carboxamide;hydrochlorideSMILES: C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.ClInChIKey: YZHGXYNLMHGNJZ-UHFFFAOYSA-NInChI: 1S/C29H33N3O2.ClH/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28;/h1-10,21,25H,11-20H2,(H,30,34);1H
-
AMG 21629,TRPV1拮抗剂CAS号: 939040-79-6分子式: C22H19F3N6O3 分子量: 472.42IUPAC Name: 3-amino-5-[2-(2-methoxyethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-oneSMILES: COCCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)FInChIKey: TUMYQRZCVIQKOQ-UHFFFAOYSA-NInChI: 1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,31)(H,28,32)(H,27,29,30)
-
Src / EGFR抑制剂CAS号: 131023-24-0 Compound CID : 16133844分子式: C111H168N30O35 分子量: 2482.7IUPAC Name: See moreSMILES: See moreInChIKey: RGNJYLBUIKGQGT-GCWAPHMJSA-NInChI: See more
-
牛磺胆酸钠 水合物CAS号: 345909-26-4 EC号: 205-653-7分子式: C26H44NNaO7S · xH2O 分子量: 537.68 (anhydrous basis)IUPAC Name: See moreSMILES: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=OInChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-MInChI: See more
-
贝母素乙CAS号: 18059-10-4分子式: C27H43NO3 分子量: 429.64IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-oneSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)OInChIKey: IQDIERHFZVCNRZ-YUYPDVIUSA-NInChI: 1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
首页
400-620-6333











