小分子和化合物库

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显示第112个,产品总数67

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  1. 西咪替丁
    CAS号 : 51481-61-9        Compound CID : 2756
    分子式: C10H16N6S        分子量: 252.34
    IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
    SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N
    InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
    InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
  2. 组胺
    CAS号 : 51-45-6        Compound CID : 774
    分子式: C5H9N3        分子量: 111.15
    IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine
    SMILES: C1=C(NC=N1)CCN
    InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
  3. SB 265610,CXCR2拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 211096-49-0        Compound CID : 9841667
    分子式: C14H9BrN6O        分子量: 357.16
    IUPAC Name: 1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea
    SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C3=NNN=C23)C#N)Br
    InChIKey: SEDUMQWZEOMXSO-UHFFFAOYSA-N
    InChI: InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
  4. SB 332235,CXCR2拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 276702-15-9        Compound CID : 9887803
    分子式: C13H10Cl3N3O4S        分子量: 410.66
    IUPAC Name: 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
    SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O
    InChIKey: WTLRWOHEKQGKDS-UHFFFAOYSA-N
    InChI: InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
  5. NVP CXCR2 20,CXCR2拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1029521-30-9        Compound CID : 135907764
    分子式: C15H11F2N3OS        分子量: 319.33
    IUPAC Name: 4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
    SMILES: C1CC1C2=C(C(=O)NC(=N2)SCC3=C(C(=CC=C3)F)F)C#N
    InChIKey: PHHZYKZFEBRXAL-UHFFFAOYSA-N
    InChI: InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)
  6. AZ 10397767,CXCR2拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 333742-63-5        Compound CID : 11858154
    分子式: C15H14ClFN4O2S2        分子量: 400.88
    IUPAC Name: 5-[(3-chloro-2-fluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
    SMILES: CC(CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)Cl)F
    InChIKey: KHTUORKUWBDRBX-SSDOTTSWSA-N
    InChI: InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
  7. 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)
  8. 舒洛地尔
      规格或纯度 :
    • ≥95%
    CAS号 : 54767-75-8        Compound CID : 657255
    分子式: C20H35NOS        分子量: 337.56
    IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
    SMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O
    InChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-N
    InChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
  9. AZD5069
    CAS号 : 878385-84-3        Compound CID : 56645576
    分子式: C18H22F2N4O5S2        分子量: 476.52
    IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
    SMILES: CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F
    InChIKey: QZECRCLSIGFCIO-RISCZKNCSA-N
    InChI: InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
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