小分子和化合物库
选项
-
TC-SP 14,S1P1受体激动剂CAS号 : 1257093-40-5 Compound CID : 51346934分子式: C25H20F2N2O2S 分子量: 450.5IUPAC Name: 1-[[3-fluoro-4-[5-[(2-fluorophenyl)methyl]-1,3-benzothiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acidSMILES: C1C(CN1CC2=CC(=C(C=C2)C3=NC4=C(S3)C=CC(=C4)CC5=CC=CC=C5F)F)C(=O)OInChIKey: GVXGVDIXINMAAL-UHFFFAOYSA-NInChI: InChI=1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
-
TC-G 1006,鞘氨醇-1-磷酸受体1(S1P1)激动剂CAS号 : 1324003-64-6 Compound CID : 54764919分子式: C21H16F3N3O3 分子量: 415.37IUPAC Name: 4-methoxy-N-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamideSMILES: COC1=C(C=NC=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)FInChIKey: MLDQTQOMWDNTNN-UHFFFAOYSA-NInChI: InChI=1S/C21H16F3N3O3/c1-30-18-9-10-25-12-16(18)19(28)27-20(29)26-14-7-8-15(13-5-3-2-4-6-13)17(11-14)21(22,23)24/h2-12H,1H3,(H2,26,27,28,29)
-
CS 2100,S1P1激动剂CAS号 : 913827-99-3 Compound CID : 11977938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: InChI=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)
-
瑞巴派特CAS号 : 90098-04-7(DMSO)分子式: C19H15ClN2O4 分子量: 370.79SMILES: OC(=O)C(CC1=CC(=O)NC2=C1C=CC=C2)NC(=O)C3=CC=C(Cl)C=C3
-
芬戈莫德CAS号 : 162359-55-9 Compound CID : 107970分子式: C19H33NO2 分子量: 307.47IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diolSMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NInChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-NInChI: InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
-
3-Phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazoleCAS号 : 256414-81-0 Compound CID : 2740144分子式: C19H11F3N2OS 分子量: 372.4IUPAC Name: 3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazoleSMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC=CC=C4)C(F)(F)FInChIKey: PJHDZYVIURRTBF-UHFFFAOYSA-NInChI: InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
-
2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]anilineCAS号 : 159222-57-8 Compound CID : 2799937分子式: C18H19N3O 分子量: 293.4IUPAC Name: 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]anilineSMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3NInChIKey: ORSLEBNPFFMHND-UHFFFAOYSA-NInChI: InChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3
-
五肽胃泌素分子式: C37H49N7O9(free base) 分子量: 767.89(free base)IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acidSMILES: CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NInChIKey: NEYNJQRKHLUJRU-DZUOILHNSA-NInChI: InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
-
瑞巴派特CAS号 : 90098-04-7 Compound CID : 5042分子式: C19H15ClN2O4.xH2O 分子量: 370.79IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)ClInChIKey: ALLWOAVDORUJLA-UHFFFAOYSA-NInChI: InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
-
(R)-磷酸单-[2-氨基-2-(3-辛基-苯基氨基甲酰基)-乙基]酯CAS号 : 449173-19-7 Compound CID : 11588811分子式: C17H29N2O5P 分子量: 372.396IUPAC Name: [(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphateSMILES: CCCCCCCCC1=CC(=CC=C1)NC(=O)C(COP(=O)(O)O)NInChIKey: MRUSUGVVWGNKFE-MRXNPFEDSA-NInChI: InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
-
SEW2871,S1P 1激动剂CAS号 : 256414-75-2 Compound CID : 4077460分子式: C20H10F6N2OS 分子量: 440.36IUPAC Name: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleSMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)FInChIKey: OYMNPJXKQVTQTR-UHFFFAOYSA-NInChI: InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
-
钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
首页
400-620-6333








![(R)-磷酸单-[2-氨基-2-(3-辛基-苯基氨基甲酰基)-乙基]酯](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/R/1/R130529.png)

