FDA批准的配体 - 小分子和化合物库

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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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西地那非
- ≥98%
CAS号 : 139755-83-2 Compound CID : 135398744

分子式: C₂₂H₃₀N₆O₄S 分子量: 474.58

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

InChI: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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布林佐胺
- ≥98%
CAS号 : 138890-62-7 Compound CID : 68844

分子式: C₁₂H₂₁N₃O₅S₃ 分子量: 383.51

IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N

InChI: InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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埃罗替尼
- ≥98%
CAS号 : 183321-74-6 Compound CID : 176870

分子式: C₂₂H₂₃N₃O₄ 分子量: 393.44

IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

InChI: InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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呋塞米
- ≥98%
CAS号 : 54-31-9 Compound CID : 3440

分子式: C₁₂H₁₁ClN₂O₅S 分子量: 330.74

IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid

SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

InChI: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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乙酰唑胺
- ≥99%
CAS号 : 59-66-5 Compound CID : 1986

分子式: C₄H₆N₄O₃S₂ 分子量: 222.25

IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

InChI: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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氯塞酮
- ≥98%
CAS号 : 77-36-1 Compound CID : 2732

分子式: C₁₄H₁₁ClN₂O₄S 分子量: 338.77

IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

SMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

InChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-N

InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
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醋甲唑胺
- ≥98%
CAS号 : 554-57-4 Compound CID : 4100

分子式: C₅H₈N₄O₃S₂ 分子量: 236.3

IUPAC Name: N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide

SMILES: CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C

InChIKey: FLOSMHQXBMRNHR-UHFFFAOYSA-N

InChI: InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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