小分子和化合物库
选项
-
醋酸泼尼松龙分子式: C23H30O6 分子量: 402.48IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateSMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OInChIKey: LRJOMUJRLNCICJ-JZYPGELDSA-NInChI: 1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
-
膦酰二肽钠CAS号: 119942-99-3 Compound CID : 16219931分子式: C23H32N3Na2O10P 分子量: 587.47IUPAC Name: disodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoateSMILES: CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+].[Na+]InChIKey: OQKHVXFOYFBMDJ-ODIUWQMJSA-LInChI: See more
-
槲皮素,二水分子式: C15H10O7·2H2O 分子量: 338.27IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrateSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.OInChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-NInChI: 1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
-
甘氨脱氧胆酸钠分子式: C26H42NNaO5 分子量: 471.61IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetateSMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]InChIKey: VMSNAUAEKXEYGP-YEUHZSMFSA-MInChI: See more
-
鹅去氧胆酸钠分子式: C24H39NaO4 分子量: 414.55IUPAC Name: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateSMILES: CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]InChIKey: WDFRNBJHDMUMBL-OICFXQLMSA-MInChI: See more
-
3-(甲氨基)-L-丙氨酸盐酸盐CAS号: 16012-55-8分子式: C4H10N2O2 · HCl 分子量: 154.6IUPAC Name: (2S)-2-amino-3-(methylamino)propanoic acid;hydrochlorideSMILES: CNCC(C(=O)O)N.ClInChIKey: VDXYGASOGLSIDM-DFWYDOINSA-NInChI: 1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
-
丹参酮I分子式: C18H12O3 分子量: 276.29IUPAC Name: 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CInChIKey: AIGAZQPHXLWMOJ-UHFFFAOYSA-NInChI: 1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
-
5,8,11,14-四氧杂-2-氮杂十六碳二酸 1-芴甲基酯CAS号: 437655-95-3 Compound CID : 66615355分子式: C25H31NO8 分子量: 473.52IUPAC Name: 2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCC(=O)OInChIKey: XPNLDOFYRFOXLR-UHFFFAOYSA-NInChI: 1S/C25H31NO8/c27-24(28)18-33-16-15-32-14-13-31-12-11-30-10-9-26-25(29)34-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,23H,9-18H2,(H,26,29)(H,27,28)
-
TG100713,pan-PI3K抑制剂CAS号: 925705-73-3 Compound CID : 17751063分子式: C12H10N6 分子量: 254.25IUPAC Name: 3-(2,4-diaminopteridin-6-yl)phenolSMILES: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)NInChIKey: UOORQSPLBHUQDQ-UHFFFAOYSA-NInChI: 1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)15-5-8(16-9)6-2-1-3-7(19)4-6/h1-5,19H,(H4,13,14,15,17,18)
-
U0126-EtOH,抑制剂CAS号: 1173097-76-1 Compound CID : 16220066分子式: C18H16N6S2.C2H6O 分子量: 426.56IUPAC Name: (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanolSMILES: CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)NInChIKey: CFQULUVMLGZVAF-OYJDLGDISA-NInChI: 1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;
-
氨基十一甘醇单甲醚CAS号: 854601-60-8 Compound CID : 77078255分子式: C23H49NO11 分子量: 515.64IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamineSMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNInChIKey: SWAJVHMMXALQKJ-UHFFFAOYSA-NInChI: 1S/C23H49NO11/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h2-24H2,1H3
-
Vc-MMAD,用于偶联抗体CAS号: 1401963-17-4 Compound CID : 78357803分子式: C70H104N12O14S 分子量: 1369.71IUPAC Name: See moreSMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC4=CC=C(C=C4)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=OInChIKey: GRBICHHPFYWKKI-BDVWXETGSA-NInChI: See more
首页
400-620-6333











