按“信号通路”分类 - 小分子和化合物库

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PF-3758309
- ≥98%
CAS号: 898044-15-0 EC号: 804-641-4 Compound CID : 25227462

分子式: C₂₅H₃₀N₈OS 分子量: 490.62

IUPAC Name: N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

SMILES: CC1=NC2=C(C(=N1)NC3=NNC4=C3CN(C4(C)C)C(=O)NC(CN(C)C)C5=CC=CC=C5)SC=C2

InChIKey: AYCPARAPKDAOEN-LJQANCHMSA-N

InChI: 1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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PF-3845,不可逆FAAH抑制剂
- ≥98%
CAS号: 1196109-52-0

分子式: C₂₄H₂₃F₃N₄O₂

IUPAC Name: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide

SMILES: C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4

InChIKey: NBOJHRYUGLRASX-UHFFFAOYSA-N

InChI: 1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)
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PF-04457845,不可逆FAAH抑制剂
- ≥98%
CAS号: 1020315-31-4

分子式: C₂₃H₂₀F₃N₅O₂ 分子量: 455.43

IUPAC Name: N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide

SMILES: C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4

InChIKey: BATCTBJIJJEPHM-UHFFFAOYSA-N

InChI: 1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
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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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URB597,FAAH抑制剂
- ≥98%
CAS号: 546141-08-6 Compound CID : 1383884

分子式: C₂₀H₂₂N₂O₃ 分子量: 338.4

IUPAC Name: [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate

SMILES: C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N

InChIKey: ROFVXGGUISEHAM-UHFFFAOYSA-N

InChI: 1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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GSK690693,新型ATP竞争性泛Akt激酶抑制剂
- ≥98%
CAS号: 937174-76-0

分子式: C₂₁H₂₇N₇O₃ 分子量: 425.48

IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

SMILES: CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N

InChIKey: KGPGFQWBCSZGEL-ZDUSSCGKSA-N

InChI: 1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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JNJ-1661010,FAAH抑制剂
- ≥98%
CAS号: 681136-29-8

分子式: C₁₉H₁₉N₅OS 分子量: 365.45

IUPAC Name: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

SMILES: C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChIKey: BHBOSTKQCZEAJM-UHFFFAOYSA-N

InChI: 1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
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LY2183240,花生四烯酸摄取抑制剂
- ≥98%
CAS号: 874902-19-9

分子式: C₁₇H₁₇N₅O 分子量: 307.35

IUPAC Name: N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamide

SMILES: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3

InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-N

InChI: 1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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AACOCF3（花生四烯酸三氟甲基酮）
- ≥98%
- 10 mg/mL in ethanol
CAS号: 149301-79-1

分子式: C₂₁H₃₁F₃O 分子量: 356.47

IUPAC Name: (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F

InChIKey: PLWROONZUDKYKG-DOFZRALJSA-N

InChI: 1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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JZL195
- ≥98%
CAS号: 1210004-12-8

分子式: C₂₄H₂₃N₃O₅ 分子量: 433.5

IUPAC Name: (4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate

SMILES: C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChIKey: QNYRAEKLMNDRFY-UHFFFAOYSA-N

InChI: 1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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HELSS,Ca 2+独立PLA 2抑制剂
- ≥98%
CAS号: 88070-98-8

分子式: C₁₆H₁₃BrO₂ 分子量: 317.2

IUPAC Name: (6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one

SMILES: C1CC(=CBr)OC(=O)C1C2=CC=CC3=CC=CC=C32

InChIKey: BYUCSFWXCMTYOI-ZRDIBKRKSA-N

InChI: 1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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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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