按“信号通路”分类 - 小分子和化合物库

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阿立哌唑
- ≥99%
CAS号: 129722-12-9

分子式: C₂₃H₂₇Cl₂N₃O₂ 分子量: 448.39

IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

InChI: 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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L-去甲肾上腺素
- ≥98%
CAS号: 51-41-2 EC号: 200-096-6

分子式: C₈H₁₁NO₃ 分子量: 169.18

IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

SMILES: C1=CC(=C(C=C1C(CN)O)O)O

InChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-N

InChI: 1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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萘哌地尔
- ≥98%
CAS号: 57149-07-2

分子式: C₂₄H₂₈N₂O₃ 分子量: 392.5

IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol

SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O

InChIKey: HRRBJVNMSRJFHQ-UHFFFAOYSA-N

InChI: 1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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奥扎格雷
- ≥98%
CAS号: 82571-53-7

分子式: C₁₃H₁₂N₂O₂ 分子量: 228.25

IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid

SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O

InChIKey: SHZKQBHERIJWAO-AATRIKPKSA-N

InChI: 1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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利托那韦
- ≥98%
CAS号: 155213-67-5 Compound CID : 392622

分子式: C₃₇H₄₈N₆O₅S₂ 分子量: 720.94

IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

InChI: 1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16See more
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利哌酮
- ≥98%
CAS号: 106266-06-2 Compound CID : 5073

分子式: C₂₃H₂₇FN₄O₂ 分子量: 410.48

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N

InChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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西洛多辛
- ≥99%
CAS号: 160970-54-7 Compound CID : 5312125

分子式: C₂₅H₃₂F₃N₃O₄ 分子量: 495.53

IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

SMILES: NC(C1=CC(C[C@@H](C)NCCOC2=C(OCC(F)(F)F)C=CC=C2)=CC3=C1N(CCCO)CC3)=O

InChIKey: PNCPYILNMDWPEY-QGZVFWFLSA-N

InChI: 1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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SB-203580,p38 MAPK抑制剂
- ≥98%(HPLC)
CAS号: 152121-47-6 Compound CID : 176155

分子式: C₂₁H₁₆FN₃OS 分子量: 377.43

IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N

InChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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他莫西芬
- ≥99%(HPLC)
CAS号: 10540-29-1 EC号: 234-118-0

分子式: C₂₆H₂₉NO 分子量: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: 1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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他莫西芬
- ≥99%
CAS号: 10540-29-1 EC号: 234-118-0

分子式: C₂₆H₂₉NO 分子量: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: 1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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WAY-100635,5-HT1A受体拮抗剂
- ≥98%
CAS号: 162760-96-5 Compound CID : 5684

分子式: C₂₅H₃₄N₄O₂ 分子量: 422.56

IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

InChIKey: SBPRIAGPYFYCRT-UHFFFAOYSA-N

InChI: 1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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BMY 7378 二盐酸盐
- ≥98%
CAS号: 21102-95-4 Compound CID : 210172

分子式: C₂₂H₃₁N₃O₃·2HCl 分子量: 458.42

IUPAC Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride

SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O.Cl.Cl

InChIKey: NIBOMXUDFLRHRV-UHFFFAOYSA-N

InChI: 1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
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