小分子和化合物库

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显示第112个,产品总数226

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  1. AR-42,HDAC抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 935881-37-1        Compound CID : 6918848
    分子式: C18H20N2O3        分子量: 312.36
    IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
    SMILES: CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
    InChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-N
    InChI: InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
  2. LY500307,雌激素受体β激动剂
      规格或纯度 :
    • ≥99%
    CAS号 : 533884-09-2        Compound CID : 10286159
    分子式: C18H18O3        分子量: 282.33
    IUPAC Name: (3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
    SMILES: C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)O
    InChIKey: XIESSJVMWNJCGZ-VKJFTORMSA-N
    InChI: InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
  3. PCI-34051,HDAC8抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 950762-95-5        Compound CID : 24753719
    分子式: C17H16N2O3        分子量: 296.32
    IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
    SMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO
    InChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-N
    InChI: InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
  4. PP2,Src和RIP2激酶抑制剂
    CAS号 : 172889-27-9        Compound CID : 4878
    分子式: C15H16ClN5        分子量: 301.77
    IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N
    InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N
    InChI: InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
  5. PD168393,细胞渗透性EGFR抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 194423-15-9        Compound CID : 4708
    分子式: C17H13BrN4O        分子量: 369.22
    IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
    SMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br
    InChIKey: HTUBKQUPEREOGA-UHFFFAOYSA-N
    InChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
  6. XL228
      规格或纯度 :
    • ≥98%
    CAS号 : 898280-07-4        Compound CID : 59757974
    分子式: C22H31N9O        分子量: 437.54
    IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
    SMILES: CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5
    InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-N
    InChI: InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
  7. 环芬尼
      规格或纯度 :
    • ≥98%
    CAS号 : 2624-43-3        Compound CID : 2898
    分子式: C23H24O4        分子量: 364.434
    IUPAC Name: [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
    SMILES: CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C
    InChIKey: GVOUFPWUYJWQSK-UHFFFAOYSA-N
    InChI: InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
  8. 己烯雌酚标准物质
    CAS号 : 56-53-1        Compound CID : 448537
    分子式: C18H20O2        分子量: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
  9. 己烯雌酚
    CAS号 : 56-53-1        Compound CID : 448537
    分子式: C18H20O2        分子量: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
  10. 雌酮
    CAS号 : 53-16-7        Compound CID : 5870
    分子式: C18H22O2        分子量: 270.37
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N
    InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
  11. 苯甲酸雌二醇
      规格或纯度 :
    • ≥98%
    CAS号 : 50-50-0        Compound CID : 222757
    分子式: C25H28O3        分子量: 376.49
    IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
    SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
    InChIKey: UYIFTLBWAOGQBI-BZDYCCQFSA-N
    InChI: InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
  12. 4-羟基三苯氧胺
      规格或纯度 :
    • Moligand™
    • ≥98%
    • mixture of isomers
    CAS号 : 68047-06-3       
    分子式: C26H29NO2        分子量: 387.51
    IUPAC Name: 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
    SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N
    InChI: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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