FDA批准的配体 - 小分子和化合物库

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褪黑素
- ≥98%
CAS号 : 73-31-4 Compound CID : 896

分子式: C₁₃H₁₆N₂O₂ 分子量: 232.28

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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尼罗替尼 (AMN-107)
- ≥99%
CAS号 : 641571-10-0 Compound CID : 644241

分子式: C₂₈H₂₂F₃N₇O 分子量: 529.53

IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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特泊替尼
- ≥98%
CAS号 : 1100598-32-0 Compound CID : 25171648

分子式: C₂₉H₂₈N₆O₂ 分子量: 492.57

IUPAC Name: 3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile

SMILES: CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N

InChIKey: AHYMHWXQRWRBKT-UHFFFAOYSA-N

InChI: InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3
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伊马替尼
- ≥99%
CAS号 : 152459-95-5 Compound CID : 5291

分子式: C₂₉H₃₁N₇O 分子量: 493.6

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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哌唑嗪
- ≥98%
CAS号 : 19216-56-9 Compound CID : 4893

分子式: C₁₉H₂₁N₅O₄ 分子量: 383.4

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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帕克替尼（SB1518）
- ≥95%
CAS号 : 937272-79-2 Compound CID : 46216796

分子式: C₂₈H₃₂N₄O₃ 分子量: 472.58

IUPAC Name: (16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

SMILES: C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2

InChIKey: HWXVIOGONBBTBY-ONEGZZNKSA-N

InChI: InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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哌唑嗪
- 10mM in DMSO
CAS号 : 19216-56-9 Compound CID : 4893

分子式: C₁₉H₂₁N₅O₄ 分子量: 383.4

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC

InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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