小分子和化合物库

选项
视图 列表 网格

显示第112个,产品总数50

设置降序方向
  1. 巴氯酚
    CAS号 : 1134-47-0        Compound CID : 2284
    分子式: C10H12ClNO2        分子量: 213.66
    IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid
    SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl
    InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
  2. (R)-巴氯芬
    CAS号 : 69308-37-8       
    分子式: C10H12ClNO2        分子量: 213.66
    IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid
    SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl
    InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N
    InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
  3. 钙离子载体 A23187
      规格或纯度 :
    • ≥97%
    CAS号 : 52665-69-7        Compound CID : 11957499
    分子式: C29H37N3O6        分子量: 523.62
    IUPAC 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 acid
    SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
    InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N
    InChI: 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
  4. MK-5046
    CAS号 : 1022152-70-0        Compound CID : 49871766
    分子式: C20H18F6N4O        分子量: 444.37
    IUPAC Name: (2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
    SMILES: C1CC1(CC2=CN=C(N2)CC(C3=CC=C(C=C3)N4C=CC=N4)(C(F)(F)F)O)C(F)(F)F
    InChIKey: UJINBEQCDMOAHM-SFHVURJKSA-N
    InChI: InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
  5. 3-APPA (CGP 27492)
    CAS号 : 103680-47-3        Compound CID : 6335948
    分子式: C3H10NO2P        分子量: 123.09
    IUPAC Name: 3-aminopropyl-hydroxy-oxophosphanium
    SMILES: C(CN)C[P+](=O)O
    InChIKey: MQIWYGZSHIXQIU-UHFFFAOYSA-O
    InChI: InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
  6. GS 39783
    CAS号 : 39069-52-8        Compound CID : 6604928
    分子式: C15H23N5O2S        分子量: 337.44
    IUPAC Name: 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
    SMILES: CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3
    InChIKey: GSGVDKOCBKBMGG-UHFFFAOYSA-N
    InChI: InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
  7. GABA,抑制性神经递质
    CAS号 : 56-12-2       
    分子式: C4H9NO2        分子量: 103.12
    IUPAC Name: 4-aminobutanoic acid
    SMILES: C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
  8. CGP 7930,阳性GABA B受体变构调节剂
    CAS号 : 57717-80-3        Compound CID : 5024764
    分子式: C19H32O2        分子量: 292.46
    IUPAC Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
    SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO
    InChIKey: XLWJPQQFJNGUPA-UHFFFAOYSA-N
    InChI: InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
  9. CGP 35348,GABA B拮抗剂
    CAS号 : 123690-79-9        Compound CID : 107699
    分子式: C8H20NO4P        分子量: 225.22
    IUPAC Name: 3-aminopropyl(diethoxymethyl)phosphinic acid
    SMILES: CCOC(OCC)P(=O)(CCCN)O
    InChIKey: QIIVUOWTHWIXFO-UHFFFAOYSA-N
    InChI: InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
  10. SKF 97541,GABA B激动剂
    CAS号 : 127729-35-5        Compound CID : 5230
    分子式: C4H12NO2P        分子量: 137.119
    IUPAC Name: 3-aminopropyl(methyl)phosphinic acid
    SMILES: CP(=O)(CCCN)O
    InChIKey: NHVRIDDXGZPJTJ-UHFFFAOYSA-N
    InChI: InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
  11. SCH 50911,GABA拮抗剂
    CAS号 : 733717-87-8        Compound CID : 5311429
    分子式: C8H15NO3        分子量: 173.21
    IUPAC Name: 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
    SMILES: CC1(COC(CN1)CC(=O)O)C
    InChIKey: SEYCKMQSPUVYEF-LURJTMIESA-N
    InChI: InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
  12. RAC BHFF,GABAB受体正变构调节剂
    CAS号 : 123557-91-5        Compound CID : 4332683
    分子式: C17H21F3O3        分子量: 330.34
    IUPAC Name: 5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
    SMILES: CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O
    InChIKey: RVNOANDLZIIFHB-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
每页