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56

设置降序方向
  1. ONO-4059类似物
      规格或纯度 :
    • ≥98%
    CAS号 : 1351635-67-0        Compound CID : 89455219
    分子式: C25H24N6O3        分子量: 456.5
    IUPAC Name: 6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one
    SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    InChIKey: KSUDUUBCXJUFRL-SFHVURJKSA-N
    InChI: InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
  2. BMS-935177
      规格或纯度 :
    • ≥99%
    CAS号 : 1231889-53-4        Compound CID : 70647728
    分子式: C31H26N4O3        分子量: 502.56
    IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
    SMILES: CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N
    InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
    InChI: InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
  3. AVL-292
    CAS号 : 1202757-89-8        Compound CID : 59174488
    分子式: C22H22FN5O3        分子量: 423.44
    IUPAC Name: N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
    SMILES: COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F
    InChIKey: KXBDTLQSDKGAEB-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
  4. BMS-935177
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1231889-53-4        Compound CID : 70647728
    分子式: C31H26N4O3        分子量: 502.56
    IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
    SMILES: CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N
    InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
    InChI: InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
  5. 伊沃布鲁替尼(M-2951)
    CAS号 : 1415823-73-2        Compound CID : 71479709
    分子式: C25H27N5O2        分子量: 429.51
    IUPAC Name: 1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
    SMILES: C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N
    InChIKey: QUIWHXQETADMGN-UHFFFAOYSA-N
    InChI: InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
  6. ONO-4059类似物
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1351635-67-0        Compound CID : 89455219
    分子式: C25H24N6O3        分子量: 456.5
    IUPAC Name: 6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one
    SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    InChIKey: KSUDUUBCXJUFRL-SFHVURJKSA-N
    InChI: InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
  7. 依鲁替尼 (PCI-32765)
    CAS号 : 936563-96-1        Compound CID : 24821094
    分子式: C25H24N6O2        分子量: 440.5
    IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
    SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N
    InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
  8. 星形孢菌素
    CAS号 : 62996-74-1        Compound CID : 44259
    分子式: C28H26N4O3        分子量: 466.53
    IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
    SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
    InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N
    InChI: InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
  9. 巴氯酚
    CAS号 : 1134-47-0        Compound CID : 2284
    分子式: C10H12ClNO2        分子量: 213.66
    IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid
    SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl
    InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
  10. (R)-巴氯芬
    CAS号 : 69308-37-8       
    分子式: C10H12ClNO2        分子量: 213.66
    IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid
    SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl
    InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N
    InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
每页