按“信号通路”分类 - 小分子和化合物库

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2-氨基-5-氯苯并噁唑
- ≥99%
CAS号: 61-80-3 EC号: 200-519-4

分子式: C₇H₅ClN₂O 分子量: 168.58

IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine

SMILES: C1=CC2=C(C=C1Cl)N=C(O2)N

InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N

InChI: 1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
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NS309,钙依赖性钾离子通道 SK/IK 的激活剂
- ≥98%(HPLC)
CAS号: 18711-16-5 Compound CID : 135502903

分子式: C₈H₄Cl₂N₂O₂ 分子量: 231.04

IUPAC Name: 6,7-dichloro-3-nitroso-1H-indol-2-ol

SMILES: C1=CC(=C(C2=C1C(=C(N2)O)N=O)Cl)Cl

InChIKey: ROBYKNONIPZMTK-UHFFFAOYSA-N

InChI: 1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,11,13H
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SKA-31,K Ca 3.1和K Ca 2通道激活剂
- ≥97%
CAS号: 40172-65-4

分子式: C₁₁H₈N₂S 分子量: 200.26

IUPAC Name: benzo[e][1,3]benzothiazol-2-amine

SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N

InChIKey: FECQXVPRUCCUIL-UHFFFAOYSA-N

InChI: 1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
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N-环己基-N-[2-(3,5-二甲基吡唑-1-基)-6-甲基嘧啶-4-基]胺(CyPPA)
- ≥98%(HPLC)
CAS号: 73029-73-9

分子式: C₁₆H₂₃N₅ 分子量: 285.39

IUPAC Name: N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine

SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC3CCCCC3

InChIKey: USEMRPYUFJNFQN-UHFFFAOYSA-N

InChI: 1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号: 870653-45-5 EC号: 635-565-8

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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帕波西利
- ≥99%
CAS号: 571190-30-2 EC号: 810-186-2

分子式: C₂₄H₂₉N₇O₂ 分子量: 447.53

IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C

InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

InChI: 1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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PHA-848125,ATP竞争性CDK2和TRKA抑制剂
- ≥98%
CAS号: 802539-81-7

分子式: C₂₅H₃₂N₈O 分子量: 460.57

IUPAC Name: N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide

SMILES: CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C

InChIKey: RXZMYLDMFYNEIM-UHFFFAOYSA-N

InChI: 1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
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利鲁唑
- ≥98%
CAS号: 1744-22-5 Compound CID : 5070

分子式: C₈H₅F₃N₂OS 分子量: 234.2

IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N

InChI: 1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
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R547,cdk抑制剂
- ≥98%
CAS号: 741713-40-6 Compound CID : 6918852

分子式: C₁₈H₂₁F₂N₅O₄S 分子量: 441.45

IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone

SMILES: COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-N

InChI: 1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
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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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SNS-032 (BMS-387032)
- ≥98%
CAS号: 345627-80-7 Compound CID : 3025986

分子式: C₁₇H₂₄N₄O₂S₂ 分子量: 380.53

IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3

InChIKey: OUSFTKFNBAZUKL-UHFFFAOYSA-N

InChI: 1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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右旋比扣扣灵碱
CAS号: 485-49-4 EC号: 207-619-7

分子式: C₂₀H₁₇NO₆ 分子量: 367.35

IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

InChI: 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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