小分子和化合物库

选项
视图 列表 网格

显示第112个,产品总数178

设置降序方向
  1. 柚皮素
    CAS号 : 480-41-1        Compound CID : 439246
    分子式: C15H12O5        分子量: 272.25
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
    InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N
    InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
  2. 炔诺酮
    CAS号 : 68-22-4        Compound CID : 6230
    分子式: C20H26O2        分子量: 298.42
    IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
    InChI: InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
  3. PHA-793887
      规格或纯度 :
    • ≥95%
    CAS号 : 718630-59-2        Compound CID : 46191454
    分子式: C19H31N5O2        分子量: 361.48
    IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
    SMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
    InChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-N
    InChI: InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
  4. 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
  5. 炔孕酮
      规格或纯度 :
    • ≥98%
    CAS号 : 434-03-7        Compound CID : 5284557
    分子式: C21H28O2        分子量: 312.45
    IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C
    InChIKey: CHNXZKVNWQUJIB-CEGNMAFCSA-N
    InChI: InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
  6. 柚皮素
      规格或纯度 :
    • ≥97%
    CAS号 : 480-41-1        Compound CID : 439246
    分子式: C15H12O5        分子量: 272.25
    IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
    InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N
    InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
  7. 雄酮
    CAS号 : 53-41-8        Compound CID : 5879
    分子式: C19H30O2        分子量: 290.44
    IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
    InChIKey: QGXBDMJGAMFCBF-HLUDHZFRSA-N
    InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
  8. Bay 61-3606盐酸盐
    CAS号 : 732983-37-8        Compound CID : 10200390
    分子式: C20H18N6O3        分子量: 390.40
    IUPAC Name: 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
    SMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
    InChIKey: JWQOJVOKBAAAAR-UHFFFAOYSA-N
    InChI: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
  9. 10Z-Hymenialdisine,泛激酶抑制剂
      规格或纯度 :
    • ≥97%
    CAS号 : 82005-12-7       
    分子式: C11H10BrN5O2        分子量: 324.13
    IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
    SMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br
    InChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-N
    InChI: InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
  10. CHIR 98014(DMSO溶液)
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
  11. CHIR 98014,GSK3抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 556813-39-9        Compound CID : 9957049
    分子式: C20H17Cl2N9O2        分子量: 486.32
    IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
    SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N
    InChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-N
    InChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
每页