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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阿戈美拉汀
- ≥98%(HPLC)
CAS号: 138112-76-2

分子式: C₁₅H₁₇NO₂ 分子量: 243.3

IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

SMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N

InChI: 1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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5-甲氧基色胺
- ≥97%
CAS号: 608-07-1 EC号: 210-153-7

分子式: C₁₁H₁₄N₂O 分子量: 190.25

IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethanamine

SMILES: COC1=CC2=C(C=C1)NC=C2CCN

InChIKey: JTEJPPKMYBDEMY-UHFFFAOYSA-N

InChI: 1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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米尔塔扎平
- ≥98%
CAS号: 85650-52-8

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

InChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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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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舍吲哚
- ≥95%
CAS号: 106516-24-9 Compound CID : 60149

分子式: C₂₄H₂₆ClFN₄O 分子量: 440.9

IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

SMILES: C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O

InChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-N

InChI: 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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色胺
- ≥98%
CAS号: 61-54-1 EC号: 200-510-5 Compound CID : 1150

分子式: C₁₀H₁₂N₂ 分子量: 160.22

IUPAC Name: 2-(1H-indol-3-yl)ethanamine

SMILES: C1=CC=C2C(=C1)C(=CN2)CCN

InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N

InChI: 1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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齐拉西酮
- ≥98%
CAS号: 146939-27-7 Compound CID : 60854

分子式: C₂₁H₂₁ClN₄OS 分子量: 412.94

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one

SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N

InChI: 1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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佐替平
- ≥98%(HPLC)
CAS号: 26615-21-4 Compound CID : 5736

分子式: C₁₈H₁₈ClNOS 分子量: 331.86

IUPAC Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine

SMILES: CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: HDOZVRUNCMBHFH-UHFFFAOYSA-N

InChI: 1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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阿司咪唑
- ≥98%
CAS号: 68844-77-9 EC号: 272-441-9

分子式: C₂₈H₃₁FN₄O 分子量: 458.57

IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine

SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

InChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-N

InChI: 1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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BRL-15572,h5-HT1D拮抗剂
- ≥98%
CAS号: 193611-72-2 Compound CID : 9891303

分子式: C₂₅H₂₇ClN₂O·2HCl 分子量: 479.87

IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;dihydrochloride

SMILES: C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl.Cl.Cl

InChIKey: WPEXRXMQMPOHIO-UHFFFAOYSA-N

InChI: 1S/C25H27ClN2O.2ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-13,18,24-25,29H,14-17,19H2;2*1H
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