小分子和化合物库

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6 项目

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  1. 阿魏酸
    CAS号 : 1135-24-6        Compound CID : 445858
    分子式: C10H10O4        分子量: 194.18
    IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
    InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
    InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  2. 脱甲基YM298198盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号 : 299901-57-8        Compound CID : 11716890
    分子式: C17H20N4OS.HCl        分子量: 364.89
    IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
    SMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4
    InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
  3. YM298198盐酸盐
    CAS号 : 748758-45-4        Compound CID : 9819432
    分子式: C18H22N4OS.HCl        分子量: 378.92
    IUPAC Name: 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
    SMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)N(C)C4CCCCC4
    InChIKey: KCBXOMYXOBVLED-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3
  4. 异喹啉酸
    CAS号 : 52809-07-1        Compound CID : 40539
    分子式: C5H7N3O5        分子量: 189.13
    IUPAC Name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
    SMILES: C(C(C(=O)O)N)N1C(=O)NC(=O)O1
    InChIKey: ASNFTDCKZKHJSW-REOHCLBHSA-N
    InChI: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
  5. Ro 67-4853
    CAS号 : 302841-89-0        Compound CID : 9949202
    分子式: C19H19NO4        分子量: 325.36
    IUPAC Name: butyl N-(9H-xanthene-9-carbonyl)carbamate
    SMILES: CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
    InChIKey: RQBUXEUMZZQUFY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
  6. LY 367385,mGlu 1a拮抗剂
    CAS号 : 198419-91-9        Compound CID : 5311261
    分子式: C10H11NO4        分子量: 209.2
    IUPAC Name: 4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
    SMILES: CC1=C(C=CC(=C1)C(=O)O)C(C(=O)O)N
    InChIKey: SGIKDIUCJAUSRD-QMMMGPOBSA-N
    InChI: InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
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