合成有机化合物配体 - 小分子和化合物库

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阿达帕林
- ≥98%
CAS号: 106685-40-9

分子式: C₂₈H₂₈O₃ 分子量: 412.52

IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid

SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N

InChI: 1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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AS-605240,PI3Kγ抑制剂
- ≥98%
CAS号: 648450-29-7

分子式: C₁₂H₇N₃O₂S 分子量: 257.27

IUPAC Name: (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

SMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3

InChIKey: SQWZFLMPDUSYGV-POHAHGRESA-N

InChI: 1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
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AMG-900
- ≥98%
CAS号: 945595-80-2

分子式: C₂₈H₂₁N₇OS 分子量: 503.58

IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine

SMILES: CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChIKey: IVUGFMLRJOCGAS-UHFFFAOYSA-N

InChI: 1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
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A-769662,AMP激活的蛋白激酶激活剂
- ≥98%
CAS号: 844499-71-4

分子式: C₂₀H₁₂N₂O₃S 分子量: 360.39

IUPAC Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile

SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=C(C(=O)N4)C#N)O)O

InChIKey: CTESJDQKVOEUOY-UHFFFAOYSA-N

InChI: 1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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阿利克仑
- ≥98%
CAS号: 173334-57-1

分子式: C₃₀H₅₃N₃O₆ 分子量: 551.77

IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

SMILES: CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

InChI: 1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22See more
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AG14361
- ≥98%
CAS号: 328543-09-5

分子式: C₁₉H₂₀N₄O 分子量: 320.4

IUPAC Name: 2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

SMILES: CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O

InChIKey: SEKJSSBJKFLZIT-UHFFFAOYSA-N

InChI: 1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
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艾力替尼
- ≥98%
CAS号: 897383-62-9

分子式: C₂₄H₁₈ClFN₄O₂ 分子量: 448.88

IUPAC Name: N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide

SMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChIKey: MVZGYPSXNDCANY-UHFFFAOYSA-N

InChI: 1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)
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AZ20,ATR抑制剂
- ≥98%
CAS号: 1233339-22-4

分子式: C₂₁H₂₄N₄O₃S 分子量: 412.51

IUPAC Name: (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine

SMILES: CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4

InChIKey: SCGCBAAYLFTIJU-CQSZACIVSA-N

InChI: 1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
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阿尔韦莱司他
- ≥98%
CAS号: 848141-11-7

分子式: C₂₅H₂₂F₃N₅O₄S 分子量: 545.53

IUPAC Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

SMILES: CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C

InChIKey: QNQZWEGMKJBHEM-UHFFFAOYSA-N

InChI: 1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
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氨甲环酸 (AMCA)
- ≥98%
CAS号: 1197-18-8

分子式: C₈H₁₅NO₂ 分子量: 157.21

IUPAC Name: 4-(aminomethyl)cyclohexane-1-carboxylic acid

SMILES: NC[C@H]1CC[C@@H](CC1)C(O)=O

InChIKey: GYDJEQRTZSCIOI-UHFFFAOYSA-N

InChI: 1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
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二苯基硼酸-2-氨基乙酯
- ≥98%
CAS号: 524-95-8 EC号: 208-366-5

分子式: C₁₄H₁₆BNO 分子量: 225.09

IUPAC Name: 2-diphenylboranyloxyethanamine

SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

InChI: 1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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5-氨基-[3,4'双吡啶]-6(1H)-酮(Amrinone)
- ≥98%
CAS号: 60719-84-8 EC号: 262-390-0

分子式: C₁₀H₉N₃O 分子量: 187.2

IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one

SMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)N

InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

InChI: 1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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