小分子和化合物库

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显示第112个,产品总数25

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  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. 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
  4. 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)
  5. 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)
  6. 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
  7. 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)
  8. 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)
  9. 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
  10. 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
  11. 2-羟基沙氯芬
    CAS号 : 117354-64-0        Compound CID : 1564
    分子式: C9H12ClNO4S        分子量: 265.71
    IUPAC Name: 3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid
    SMILES: C1=CC(=CC=C1C(CN)(CS(=O)(=O)O)O)Cl
    InChIKey: WBSMZVIMANOCNX-UHFFFAOYSA-N
    InChI: InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)
  12. CGP 46381,GABA拮抗剂
    CAS号 : 123691-14-5        Compound CID : 130022
    分子式: C10H22NO2P        分子量: 219.26
    IUPAC Name: 3-aminopropyl(cyclohexylmethyl)phosphinic acid
    SMILES: C1CCC(CC1)CP(=O)(CCCN)O
    InChIKey: XOESDNIUAWGCLU-UHFFFAOYSA-N
    InChI: InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
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