小分子和化合物库

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显示第112个,产品总数132

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  1. LY2795050,κ-阿片受体(KOR)拮抗剂
    CAS号 : 1346133-08-1        Compound CID : 56851583
    分子式: C23H22ClN3O2        分子量: 407.89
    IUPAC Name: 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
    SMILES: C1CC(N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4
    InChIKey: LOOCZNLSXJHWTG-NRFANRHFSA-N
    InChI: InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1
  2. Herkinorin,激动剂
      规格或纯度 :
    • ≥98%
    CAS号 : 862073-77-6        Compound CID : 11431898
    分子式: C28H30O8        分子量: 494.53
    IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
    SMILES: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OC(=O)C4=CC=CC=C4)C)C5=COC=C5
    InChIKey: PYDQMXRFUVDCHC-XAGHGKQISA-N
    InChI: InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
  3. NNC 63-0532,非肽NOP激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 250685-44-0        Compound CID : 9803475
    分子式: C27H29N3O3        分子量: 443.54
    IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
    SMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
    InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-N
    InChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
  4. N-去甲基洛哌丁胺
      规格或纯度 :
    • ≥98%
    CAS号 : 66164-07-6        Compound CID : 9805944
    分子式: C28H31ClN2O2        分子量: 463.01
    IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
    SMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-N
    InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
  5. SR17018
      规格或纯度 :
    • ≥98%
    CAS号 : 2134602-45-0        Compound CID : 130431397
    分子式: C19H18Cl3N3O        分子量: 410.72
    IUPAC Name: 5,6-dichloro-3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
    SMILES: C1CN(CCC1N2C3=CC(=C(C=C3NC2=O)Cl)Cl)CC4=CC=C(C=C4)Cl
    InChIKey: LAGUDYUGRSQDKS-UHFFFAOYSA-N
    InChI: InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)
  6. Alvimopan
    CAS号 : 156053-89-3        Compound CID : 5488548
    分子式: C25H32N2O4        分子量: 424.53
    IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
    SMILES: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
    InChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-N
    InChI: InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
  7. Corynoxine
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 6877-32-3        Compound CID : 10475115
    分子式: C22H28N2O4        分子量: 384.47
    IUPAC Name: methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
    SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
    InChIKey: DAXYUDFNWXHGBE-NRAMRBJXSA-N
    InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22+/m1/s1
  8. 柯诺辛
      规格或纯度 :
    • ≥98%
    CAS号 : 6877-32-3        Compound CID : 10475115
    分子式: C22H28N2O4        分子量: 384.47
    IUPAC Name: methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
    SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
    InChIKey: DAXYUDFNWXHGBE-NRAMRBJXSA-N
    InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22+/m1/s1
  9. 1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (3R)-
    CAS号 : 126766-42-5        Compound CID : 6603856
    分子式: C19H25Cl2N3O3        分子量: 414.3
    IUPAC Name: methyl (3R)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
    SMILES: COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl
    InChIKey: HJUAKZYKCANOOZ-OAHLLOKOSA-N
    InChI: InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1
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