小分子和化合物库
选项
-
芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
-
柠檬酸伊沙佐米(MLN9708)CAS号 : 1201902-80-8 Compound CID : 49867936分子式: C20H23BCl2N2O9 分子量: 517.12IUPAC Name: 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acidSMILES: B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)ClInChIKey: YTXSYWAKVMZICI-PVCZSOGJSA-NInChI: InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
-
CEP-18770 (Delanzomib),蛋白酶体抑制剂CAS号 : 847499-27-8 Compound CID : 24800541分子式: C21H28BN3O5 分子量: 413.28IUPAC Name: [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acidSMILES: B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)OInChIKey: SJFBTAPEPRWNKH-CCKFTAQKSA-NInChI: InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
-
Bay 61-3606盐酸盐CAS号 : 732983-37-8 Compound CID : 10200390分子式: C20H18N6O3 分子量: 390.40IUPAC Name: 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamideSMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OCInChIKey: JWQOJVOKBAAAAR-UHFFFAOYSA-NInChI: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
-
PI 1840CAS号 : 1401223-22-0 Compound CID : 56945245分子式: C22H26N4O3 分子量: 394.47IUPAC Name: N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamideSMILES: CCCC1=CC=C(C=C1)OCC(=O)N(CC2=NC(=NO2)C3=CN=CC=C3)C(C)CInChIKey: ZVVXAODXPVWGMF-UHFFFAOYSA-NInChI: InChI=1S/C22H26N4O3/c1-4-6-17-8-10-19(11-9-17)28-15-21(27)26(16(2)3)14-20-24-22(25-29-20)18-7-5-12-23-13-18/h5,7-13,16H,4,6,14-15H2,1-3H3
-
Bortezomib (PS-341)CAS号 : 179324-69-7(DMSO)分子式: C19H25BN4O4 分子量: 384.24SMILES: CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)B(O)O
-
Ixazomib (MLN2238)CAS号 : 1072833-77-2(DMSO)分子式: C14H19BCl2N2O4 分子量: 361.03SMILES: CC(C)CC(NC(=O)CNC(=O)C1=C(Cl)C=CC(=C1)Cl)B(O)O
-
MLN9708CAS号 : 1201902-80-8(DMSO)分子式: C20H23BCl2N2O9 分子量: 517.12SMILES: CC(C)CC(NC(=O)CNC(=O)C1=C(Cl)C=CC(=C1)Cl)B2OC(=O)CC(CC(O)=O)(O2)C(O)=O
-
Oprozomib (ONX 0912)CAS号 : 935888-69-0(DMSO)分子式: C25H32N4O7S 分子量: 532.61SMILES: COCC(NC(=O)C(COC)NC(=O)C1=CN=C(C)S1)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(C)CO3
-
Milciclib (PHA-848125)CAS号 : 802539-81-7(DMSO)分子式: C25H32N8O 分子量: 460.57SMILES: CNC(=O)C1=N[N](C)C2=C1C(C)(C)CC3=CN=C(NC4=CC=C(C=C4)N5CCN(C)CC5)N=C23
-
TAE226 (NVP-TAE226)CAS号 : 761437-28-9(DMSO)分子式: C23H25ClN6O3 分子量: 468.94SMILES: CNC(=O)C1=C(NC2=C(Cl)C=NC(=N2)NC3=C(OC)C=C(C=C3)N4CCOCC4)C=CC=C1
-
TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
首页
400-620-6333











