按“信号通路”分类 - 小分子和化合物库

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星形孢菌素
- ≥98%
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: 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
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左旋甲状腺素 (T4)
- ≥98%
CAS号: 51-48-9 EC号: 200-101-1 Compound CID : 5819

分子式: C₁₅H₁₁I₄NO₄ 分子量: 776.87

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid

SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N

InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N

InChI: 1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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3,3',5'-三碘- L -甲状腺氨酸
- ≥97%
CAS号: 5817-39-0 Compound CID : 644280

分子式: C₁₅H₁₂I₃NO₄ 分子量: 650.97

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid

SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I

InChIKey: HZCBWYNLGPIQRK-LBPRGKRZSA-N

InChI: 1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
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替拉曲可
- ≥90%
CAS号: 51-24-1 EC号: 200-086-1 Compound CID : 5803

分子式: C₁₄H₉I₃O₄ 分子量: 621.93

IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid

SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O

InChIKey: UOWZUVNAGUAEQC-UHFFFAOYSA-N

InChI: 1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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3,3',5,5'-四碘甲腺-乙酸
- ≥98%
CAS号: 67-30-1 EC号: 200-649-1 Compound CID : 65552

分子式: C₁₄H₈O₄I₄ 分子量: 747.83

IUPAC Name: 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid

SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)O

InChIKey: PPJYSSNKSXAVDB-UHFFFAOYSA-N

InChI: 1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
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Dorsomorphin
- ≥98%
CAS号: 866405-64-3

分子式: C₂₄H₂₅N₅O 分子量: 399.49

IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3

InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N

InChI: 1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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GSK429286A,ROCK1和ROCK2抑制剂
- ≥98%
CAS号: 864082-47-3

分子式: C₂₁H₁₆F₄N₄O₂ 分子量: 432.37

IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide

SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F

InChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-N

InChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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3,3',5-三碘-L-甲腺原氨酸
- ≥98%(HPLC)
CAS号: 6893-02-3 Compound CID : 5920

分子式: C₁₅H₁₂I₃NO₄ 分子量: 650.98

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O

InChIKey: AUYYCJSJGJYCDS-LBPRGKRZSA-N

InChI: 1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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D-甲状腺素
- ≥98%
CAS号: 51-49-0 Compound CID : 8730

分子式: C₁₅H₁₁I₄NO₄ 分子量: 776.87

IUPAC Name: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid

SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N

InChIKey: XUIIKFGFIJCVMT-GFCCVEGCSA-N

InChI: 1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
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来他替尼
- ≥98%
CAS号: 111358-88-4

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: 1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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GSK429286A（DMSO溶液）
- ≥98%
CAS号: 864082-47-3

分子式: C₂₁H₁₆F₄N₄O₂ 分子量: 432.37

IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide

SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F

InChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-N

InChI: 1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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LJI308,RSK抑制剂
- ≥98%(HPLC)
CAS号: 1627709-94-7

分子式: C₂₁H₁₈F₂N₂O₂ 分子量: 368.38

IUPAC Name: 2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol

SMILES: C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F

InChIKey: YUYJEQHNWKQNBT-UHFFFAOYSA-N

InChI: 1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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