配体家族 - 小分子和化合物库

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阿尼西坦
- ≥98%(GC)
CAS号: 72432-10-1

分子式: C₁₂H₁₃NO₃ 分子量: 219.24

IUPAC Name: 1-(4-methoxybenzoyl)pyrrolidin-2-one

SMILES: COC1=CC=C(C=C1)C(=O)N2CCCC2=O

InChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-N

InChI: 1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
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CNQX,AMPA /海藻酸盐拮抗剂
- ≥98%
CAS号: 115066-14-3 EC号: 878-456-2

分子式: C₉H₄N₄O₄ 分子量: 232.15

IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

SMILES: C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

InChIKey: RPXVIAFEQBNEAX-UHFFFAOYSA-N

InChI: 1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
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环噻嗪
- ≥98%
CAS号: 2259-96-3

分子式: C₁₄H₁₆ClN₃O₄S₂ 分子量: 389.87

IUPAC Name: 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl

InChIKey: BOCUKUHCLICSIY-UHFFFAOYSA-N

InChI: 1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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ERD-308
- ≥98%
CAS号: 2320561-35-9 Compound CID : 138454799

分子式: C₅₅H₆₅N₅O₉S₂ 分子量: 1004.26

IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[5-[ethyl-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethyl]amino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thSee more

SMILES: CCN(CCCCCOCC(=O)NC(C(=O)N1CC(CC1C(=O)NC(C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C)CCOC4=CC=C(C=C4)C(=O)C5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)O

InChIKey: BQXUPNKLZNSUMC-YUQWMIPFSA-N

InChI: 1S/C55H65N5O9S2/c1-7-59(26-28-69-43-22-17-37(18-23-43)49(65)48-44-24-21-41(62)30-46(44)71-51(48)39-15-19-40(61)20-16-39)25-9-8-10-27-68-32-47(64)58-52(55(4,5)6)54(67)60-31-42(63)29-45(60)53(66)57-34(2See more
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LSZ-102
- 10mM in DMSO
CAS号: 2135600-76-7 Compound CID : 118574930

分子式: C₂₅H₁₇F₃O₄S 分子量: 470.46
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GDC-0927
- 10mM in DMSO
CAS号: 1642297-01-5 Compound CID : 87055263

分子式: C₂₈H₂₈FNO₄ 分子量: 461.5
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LSZ-102
- ≥99%
CAS号: 2135600-76-7 Compound CID : 118574930

分子式: C₂₅H₁₇F₃O₄S 分子量: 470.46

IUPAC Name: (E)-3-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid

SMILES: CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)C=CC(=O)O)(F)F

InChIKey: SJXNPGGVGZXKKI-NYYWCZLTSA-N

InChI: 1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
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Giredestrant
- ≥98%
CAS号: 1953133-47-5 Compound CID : 121410806

分子式: C₂₇H₃₁F₅N₄O 分子量: 522.55

IUPAC Name: 3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

SMILES: CC1CC2=C(C(N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25

InChIKey: GQCXHIKRWBIQMD-AKJBCIBTSA-N

InChI: 1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
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GDC-0927
- ≥99%
CAS号: 1642297-01-5 Compound CID : 87055263

分子式: C₂₈H₂₈FNO₄ 分子量: 461.5

IUPAC Name: (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol

SMILES: CC1=C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O

InChIKey: KJAAPZIFCQQQKX-NDEPHWFRSA-N

InChI: 1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1
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GNE-149
- ≥99%
CAS号: 1953132-75-6 Compound CID : 121410669

分子式: C₂₈H₃₃F₄N₃O 分子量: 503.57

IUPAC Name: (1R,3R)-1-[2,6-difluoro-4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

SMILES: CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)OC4CN(C4)CCCF)F)NC5=CC=CC=C25

InChIKey: BKHIBYHLBQEIQK-XGCWNURASA-N

InChI: 1S/C28H33F4N3O/c1-17-11-21-20-7-4-5-8-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)12-18(13-23(25)31)36-19-14-34(15-19)10-6-9-29/h4-5,7-8,12-13,17,19,27,33H,6,9-11,14-16H2,1-3H3/t17-,27-/m1/s1
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Giredestrant
- 10mM in DMSO
CAS号: 1953133-47-5 Compound CID : 121410806

分子式: C₂₇H₃₁F₅N₄O 分子量: 522.55
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GW7604
- ≥98%
CAS号: 195611-82-6 Compound CID : 9799518

分子式: C₂₅H₂₂O₃ 分子量: 370.45

IUPAC Name: (E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid

SMILES: CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC=C(C=C2)O)C3=CC=CC=C3

InChIKey: SCVIEONTACSLJA-YGCRUXFTSA-N

InChI: 1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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