小分子和化合物库
选项
-
紫杉醇CAS号: 33069-62-4分子式: C47H51NO14 分子量: 853.91IUPAC Name: See moreSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CInChIKey: RCINICONZNJXQF-MZXODVADSA-NInChI: See more
-
盐酸普鲁卡因分子式: C13H20N2O2·HCl 分子量: 272.77IUPAC Name: 2-(diethylamino)ethyl 4-aminobenzoate;hydrochlorideSMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.ClInChIKey: HCBIBCJNVBAKAB-UHFFFAOYSA-NInChI: 1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
-
Poloxin,PLK1的 ATP 非竞争性抑制剂CAS号: 321688-88-4分子式: C18H19NO3 分子量: 297.35IUPAC Name: [(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoateSMILES: CC1=CC=CC=C1C(=O)ON=C2C=C(C(=O)C=C2C)C(C)CInChIKey: CMOJHDQJJPIVEC-MNDPQUGUSA-NInChI: 1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
-
Perifosine(KRX-0401),Akt抑制剂CAS号: 157716-52-4分子式: C25H52NO4P 分子量: 461.66IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphateSMILES: CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)CInChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-NInChI: 1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
-
帕拉米韦三水合物CAS号: 1041434-82-5分子式: C15H28N4O4·3H2O 分子量: 382.45IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrateSMILES: CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.OInChIKey: RFUCJKFZFXNIGB-ZBBHRWOZSA-NInChI: 1S/C15H28N4O4.3H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);3*1H2/t9-,10+,11+,12-,13+;;;/m0.../s1
-
甲磺酸培氟沙星CAS号: 70458-95-6分子式: C17H20FN3O3·CH4O3S 分子量: 429.46IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acidSMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)OInChIKey: HQQSBEDKMRHYME-UHFFFAOYSA-NInChI: 1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
-
苯噻啶苹果酸盐CAS号: 5189-11-7分子式: C19H21NS.C4H6O5 分子量: 429.53IUPAC Name: 2-hydroxybutanedioic acid;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidineSMILES: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)OInChIKey: IWAWCPZVTXCFKD-UHFFFAOYSA-NInChI: 1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
-
甲磺酸培高利特CAS号: 66104-23-2 Compound CID : 47812分子式: C19H26N2S·CH4O3S 分子量: 410.59IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acidSMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)OInChIKey: UWCVGPLTGZWHGS-ZORIOUSZSA-NInChI: 1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1
-
盐酸毛果芸香碱分子式: C11H16N2O2·HCl 分子量: 244.72IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochlorideSMILES: CCC1C(COC1=O)CC2=CN=CN2C.ClInChIKey: RNAICSBVACLLGM-GNAZCLTHSA-NInChI: 1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1
-
培美曲塞二钠CAS号: 150399-23-8分子式: C20H19N5Na2O6 分子量: 471.37IUPAC Name: disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioateSMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: NYDXNILOWQXUOF-GXKRWWSZSA-LInChI: See more
-
普卡必利CAS号: 179474-81-8分子式: C18H26ClN3O3 分子量: 367.87IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamideSMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)ClInChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-NInChI: 1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
-
培美曲塞二钠水合物分子式: C20H21N5O6·5/2H2O·2Na 分子量: 516.42IUPAC Name: tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrateSMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]InChIKey: ZCTCZKWJFTYNMZ-WKUCUCPSSA-JInChI: See more
首页
400-620-6333











