按“信号通路”分类 - 小分子和化合物库

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褪黑素
- ≥98%
CAS号: 73-31-4 EC号: 200-797-7

分子式: C₁₃H₁₆N₂O₂ 分子量: 232.28

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N

InChI: 1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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NU7026,可逆的DNA-PK抑制剂
- ≥98%
CAS号: 154447-35-5

分子式: C₁₇H₁₅NO₃ 分子量: 281.31

IUPAC Name: 2-morpholin-4-ylbenzo[h]chromen-4-one

SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3

InChIKey: KKTZALUTXUZPSN-UHFFFAOYSA-N

InChI: 1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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PI-103,PI3K 和 mTOR 抑制剂
- ≥98%
CAS号: 371935-74-9

分子式: C₁₉H₁₆N₄O₃ 分子量: 348.36

IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol

SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O

InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N

InChI: 1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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替洛利生
- ≥98%
CAS号: 362665-56-3

分子式: C₁₇H₂₆ClNO 分子量: 295.85

IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine

SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl

InChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-N

InChI: 1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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PP121,酪氨酸和磷酸肌醇激酶的双重抑制剂
- ≥98%
CAS号: 1092788-83-4

分子式: C₁₇H₁₇N₇ 分子量: 319.36

IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N

InChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-N

InChI: 1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
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Torin 1,mTOR抑制剂
- ≥97%
CAS号: 1222998-36-8 Compound CID : 49836027

分子式: C₃₅H₂₈F₃N₅O₂ 分子量: 607.62

IUPAC Name: 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

SMILES: CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F

InChIKey: AKCRNFFTGXBONI-UHFFFAOYSA-N

InChI: 1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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Torin 2,mTOR抑制剂
- ≥98%
CAS号: 1223001-51-1 Compound CID : 51358113

分子式: C₂₄H₁₅F₃N₄O 分子量: 432.4

IUPAC Name: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F

InChIKey: GUXXEUUYCAYESJ-UHFFFAOYSA-N

InChI: 1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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VE-821,ATR抑制剂
- ≥98%
CAS号: 1232410-49-9 Compound CID : 51000408

分子式: C₁₈H₁₆N₄O₃S 分子量: 368.41

IUPAC Name: 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N

InChIKey: DUIHHZKTCSNTGM-UHFFFAOYSA-N

InChI: 1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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渥曼青霉素
- ≥98%
CAS号: 19545-26-7 Compound CID : 312145

分子式: C₂₃H₂₄O₈ 分子量: 428.43

IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N

InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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Bavisant,人H3受体拮抗剂
- ≥98%
CAS号: 929622-08-2

分子式: C₁₉H₂₇N₃O₂ 分子量: 329.44

IUPAC Name: (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

SMILES: C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4

InChIKey: BGBVSGSIXIIREO-UHFFFAOYSA-N

InChI: 1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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组胺
- ≥96%
CAS号: 51-45-6 EC号: 200-100-6

分子式: C₅H₉N₃ 分子量: 111.15

IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine

SMILES: C1=C(NC=N1)CCN

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI: 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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