配体家族 - 小分子和化合物库

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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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托吡卡胺
- ≥99%
CAS号: 1508-75-4 EC号: 216-140-2 Compound CID : 5593

分子式: C₁₇H₂₀N₂O₂ 分子量: 284.35

IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-N

InChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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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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甘罗溴铵
- ≥98%(HPLC)
CAS号: 596-51-0 EC号: 209-887-0

分子式: C₁₉H₂₈NO₃·Br 分子量: 398.33

IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide

SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-M

InChI: 1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
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苄索氯铵
- ≥97%
CAS号: 121-54-0 EC号: 204-479-9

分子式: C₂₇H₄₂ClNO₂ 分子量: 448.08

IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride

SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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脱羧氯雷他定
- ≥98%(HPLC)(T)
CAS号: 100643-71-8

分子式: C₁₉H₁₉ClN₂ 分子量: 310.83

IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N

InChI: 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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GSK 269962,ROCK抑制剂
- ≥98%
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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GSK 269962
- 10mM in DMSO
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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GDP366
- 10mM in DMSO
CAS号: 501698-03-9 Compound CID : 6539985

分子式: C₂₀H₁₇N₅OS 分子量: 375.4
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GNE-3511
- 10mM in DMSO
CAS号: 1496581-76-0 Compound CID : 72547959

分子式: C₂₃H₂₆F₂N₆O 分子量: 440.49
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GNE-3511
- ≥99%
CAS号: 1496581-76-0 Compound CID : 72547959

分子式: C₂₃H₂₆F₂N₆O 分子量: 440.49

IUPAC Name: 2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile

SMILES: C1CN(CCC1C2=CC(=NC(=C2)N3CCC(C3)(F)F)NC4=NC=CC(=C4)C#N)C5COC5

InChIKey: RHFIAUKMKYHHFA-UHFFFAOYSA-N

InChI: 1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
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Mepazine
- ≥99%
CAS号: 60-89-9

分子式: C₁₉H₂₂N₂S 分子量: 310.46

IUPAC Name: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine

SMILES: CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChIKey: CBHCDHNUZWWAPP-UHFFFAOYSA-N

InChI: 1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
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