按“信号通路”分类 - 小分子和化合物库

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莫扎伐普坦
- ≥99%
CAS号: 137975-06-5

分子式: C₂₇H₂₉N₃O₂ 分子量: 427.54

IUPAC Name: N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide

SMILES: CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C

InChIKey: WRNXUQJJCIZICJ-UHFFFAOYSA-N

InChI: 1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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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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托伐普坦
- ≥98%
CAS号: 150683-30-0 Compound CID : 216237

分子式: C₂₆H₂₅ClN₂O₃ 分子量: 448.94

IUPAC Name: N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide

SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C

InChIKey: GYHCTFXIZSNGJT-UHFFFAOYSA-N

InChI: 1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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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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钙离子载体 A23187
- ≥97%
CAS号: 52665-69-7

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: 1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-See more
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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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JNJ-7777120,组胺H 4受体拮抗剂
- ≥98%(HPLC)
CAS号: 459168-41-3 EC号: 636-930-4

分子式: C₁₄H₁₆ClN₃O 分子量: 277.75

IUPAC Name: (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

SMILES: CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChIKey: HUQJRYMLJBBEDO-UHFFFAOYSA-N

InChI: 1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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JNJ39758979,组胺H4受体拮抗剂
- ≥97%
CAS号: 1046447-90-8

分子式: C₁₁H₁₉N₅ 分子量: 221.30

IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

SMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)N

InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N

InChI: 1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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[Arg8]-催产加压素
- ≥95%
CAS号: 113-80-4

分子式: C₄₃H₆₇N₁₅O₁₂S₂ 分子量: 1050.23

IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicoSee more

SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

InChIKey: OXDZADMCOWPSOC-BQGUCLBMSA-N

InChI: 1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-1See more
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VUF 10460,H4激动剂
- ≥98%(HPLC)
CAS号: 1028327-66-3 Compound CID : 25129523

分子式: C₁₅H₁₉N₅ 分子量: 269.34

IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N

InChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-N

InChI: 1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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Thioperamide,H3拮抗剂
- ≥99%(HPLC)
CAS号: 106243-16-7 Compound CID : 3035905

分子式: C₁₅H₂₄N₄S 分子量: 292.44

IUPAC Name: N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

SMILES: C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3

InChIKey: QKDDJDBFONZGBW-UHFFFAOYSA-N

InChI: 1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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TC OT 39,非肽催产素受体部分激动剂
- ≥97%(HPLC)
CAS号: 479232-57-0 Compound CID : 135413563

分子式: C₃₂H₄₀N₈O₂S 分子量: 600.78

IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide

SMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)C

InChIKey: KSNHHKZYKYNBEI-NDEPHWFRSA-N

InChI: 1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21See more
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