配体家族 - 小分子和化合物库

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PD 174265,可逆的EGFR酪氨酸激酶抑制剂
- ≥98%
CAS号: 216163-53-0 Compound CID : 4709

分子式: C₁₇H₁₅BrN₄O 分子量: 371.23

IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]propanamide

SMILES: CCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChIKey: WUPUZEMRHDROEO-UHFFFAOYSA-N

InChI: 1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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AG 1478 盐酸盐
- ≥98%
CAS号: 170449-18-0

分子式: C₁₆H₁₅Cl₂N₃O₂ 分子量: 352.22

IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC.Cl

InChIKey: WDJDYIUSDDVWKB-UHFFFAOYSA-N

InChI: 1S/C16H14ClN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
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Ibrutinib (PCI-32765)
- 10mM in DMSO
CAS号: 936563-96-1

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5
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MS39
Compound CID : 145996533

IUPAC Name: (2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzySee more

SMILES: COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F

InChIKey: HLFLODKZIGYHNR-LTEFSYCBSA-N

InChI: 1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(See more
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MS154
Compound CID : 145996534

IUPAC Name: 3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)propanamide

SMILES: COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F

InChIKey: ALKKWBPMCDDKKA-UHFFFAOYSA-N

InChI: 1S/C46H54ClFN8O8/c1-62-38-28-35-32(43(51-29-50-35)52-30-12-13-34(48)33(47)26-30)27-39(38)64-25-9-18-54-20-22-55(23-21-54)19-16-40(57)49-17-6-4-2-3-5-7-24-63-37-11-8-10-31-42(37)46(61)56(45(31)60)36-14See more
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ML148
- 10mM in DMSO
CAS号: 451496-96-1 Compound CID : 3243760

分子式: C₂₀H₂₁N₃O 分子量: 319.4
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ML148
- ≥99%
CAS号: 451496-96-1 Compound CID : 3243760

分子式: C₂₀H₂₁N₃O 分子量: 319.4

IUPAC Name: [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

SMILES: CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4

InChIKey: YQNOQZALLOQMPY-UHFFFAOYSA-N

InChI: 1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
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FIIN-3
- ≥99%
CAS号: 1637735-84-2 Compound CID : 73707531

分子式: C₃₄H₃₆Cl₂N₈O₄ 分子量: 691.61

IUPAC Name: N-[4-[[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(CC4=CC=C(C=C4)NC(=O)C=C)C(=O)NC5=C(C(=CC(=C5Cl)OC)OC)Cl

InChIKey: SFLKJNSBBVSPFE-UHFFFAOYSA-N

InChI: 1S/C34H36Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h5-13,18-19,21H,1,14-17,20H2,2-4See more
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FIIN-3
- 10mM in DMSO
CAS号: 1637735-84-2 Compound CID : 73707531

分子式: C₃₄H₃₆Cl₂N₈O₄ 分子量: 691.61
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