配体家族 - 小分子和化合物库

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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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莫索尼啶
- ≥98%
CAS号: 75438-57-2 EC号: 629-833-3

分子式: C₉H₁₂ClN₅O 分子量: 241.68

IUPAC Name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine

SMILES: CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC

InChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-N

InChI: 1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
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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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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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培高利特
- ≥97%(HPLC)
CAS号: 66104-22-1 Compound CID : 47811

分子式: C₁₉H₂₆N₂S 分子量: 314.49

IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC

InChIKey: YEHCICAEULNIGD-MZMPZRCHSA-N

InChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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吡贝地尔
- ≥98%(HPLC)
CAS号: 3605-01-4 Compound CID : 4850

分子式: C₁₆H₁₈N₄O₂ 分子量: 298.35

IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-N

InChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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Abemaciclib
- 10mM in DMSO
CAS号: 1231929-97-7

分子式: C₂₇H₃₂F₂N₈ 分子量: 506.59

IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N

InChI: 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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AGN 192836
- 10mM in DMSO
CAS号: 171102-29-7 Compound CID : 10176999

分子式: C₁₂H₁₃N₃O₂ 分子量: 231.25
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GDC-0339
- 10mM in DMSO
CAS号: 1428569-85-0 Compound CID : 73603034

分子式: C₂₀H₂₂F₃N₇OS 分子量: 465.50
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GDC-0339
- ≥99%
CAS号: 1428569-85-0 Compound CID : 73603034

分子式: C₂₀H₂₂F₃N₇OS 分子量: 465.50

IUPAC Name: 5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

SMILES: CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CCC(C(CC4)F)N

InChIKey: NHXVGMQFCYBLTL-ZWNOBZJWSA-N

InChI: 1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
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AGN 192836
- ≥99%
CAS号: 171102-29-7 Compound CID : 10176999

分子式: C₁₂H₁₃N₃O₂ 分子量: 231.25

IUPAC Name: N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-amine

SMILES: CC1=C(C=CC2=C1OCCO2)NC3=NC=CN3

InChIKey: NDFYRGCPDAFQDG-UHFFFAOYSA-N

InChI: 1S/C12H13N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-5H,6-7H2,1H3,(H2,13,14,15)
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Lusaperidone
- ≥99%
CAS号: 214548-46-6 Compound CID : 3045401

分子式: C₂₂H₂₁N₃O₂ 分子量: 359.42

IUPAC Name: 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC4=C(C3)C5=CC=CC=C5O4

InChIKey: ZYXHQIPQIKTEDI-UHFFFAOYSA-N

InChI: 1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
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