小分子和化合物库

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显示第3748个,产品总数117

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  1. 氟哌利多
    CAS号 : 548-73-2        Compound CID : 3168
    分子式: C22H22FN3O2        分子量: 379.43
    IUPAC Name: 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
    SMILES: C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F
    InChIKey: RMEDXOLNCUSCGS-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
  2. 右美托咪定
    CAS号 : 113775-47-6        Compound CID : 5311068
    分子式: C13H16N2        分子量: 200.28
    IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
    SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
    InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N
    InChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
  3. 氟哌啶醇
    CAS号 : 52-86-8        Compound CID : 3559
    分子式: C21H23ClFNO2        分子量: 375.86
    IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
    SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
    InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
    InChI: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
  4. 凯他色林
    CAS号 : 74050-98-9        Compound CID : 3822
    分子式: C22H22FN3O3        分子量: 395.43
    IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
    SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
    InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
  5. L-苯肾上腺素
    CAS号 : 59-42-7        Compound CID : 6041
    分子式: C9H13NO2        分子量: 167.21
    IUPAC Name: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
    SMILES: CNCC(C1=CC(=CC=C1)O)O
    InChIKey: SONNWYBIRXJNDC-VIFPVBQESA-N
    InChI: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
  6. 拉贝洛尔
    CAS号 : 36894-69-6        Compound CID : 3869
    分子式: C19H24N2O3        分子量: 328.41
    IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
    SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
    InChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-N
    InChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
  7. 氯丙嗪
    CAS号 : 50-53-3        Compound CID : 2726
    分子式: C17H19ClN2S        分子量: 318.9
    IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
    SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
    InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
  8. Fluphenazine
    CAS号 : 69-23-8        Compound CID : 3372
    分子式: C22H26F3N3OS        分子量: 437.53
    IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
    SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
    InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
  9. 哌唑嗪
    CAS号 : 19216-56-9        Compound CID : 4893
    分子式: C19H21N5O4        分子量: 383.4
    IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
    SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC
    InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N
    InChI: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
  10. 特拉唑嗪
    CAS号 : 63590-64-7        Compound CID : 5401
    分子式: C19H25N5O4        分子量: 387.43
    IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
    SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC
    InChIKey: VCKUSRYTPJJLNI-UHFFFAOYSA-N
    InChI: InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
  11. UVI 3003,RXR拮抗剂
    CAS号 : 847239-17-2        Compound CID : 44566108
    分子式: C28H36O4        分子量: 436.58
    IUPAC Name: (E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-pentoxy-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid
    SMILES: CCCCCOC1=CC2=C(C=C1C3=C(C=CC(=C3)C=CC(=O)O)O)C(CCC2(C)C)(C)C
    InChIKey: APJSHECCIRQQDV-ZRDIBKRKSA-N
    InChI: InChI=1S/C28H36O4/c1-6-7-8-15-32-25-18-23-22(27(2,3)13-14-28(23,4)5)17-21(25)20-16-19(9-11-24(20)29)10-12-26(30)31/h9-12,16-18,29H,6-8,13-15H2,1-5H3,(H,30,31)/b12-10+
  12. SR 11237,泛RXR激动剂
    CAS号 : 146670-40-8        Compound CID : 127019
    分子式: C24H28O4        分子量: 380.48
    IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
    SMILES: CC1(CCC(C2=C1C=CC(=C2)C3(OCCO3)C4=CC=C(C=C4)C(=O)O)(C)C)C
    InChIKey: ZZUKALQMHNSWTK-UHFFFAOYSA-N
    InChI: InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
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