配体家族 - 小分子和化合物库

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利血平
- ≥98%(HPLC)
CAS号: 50-55-5 EC号: 200-047-9 Compound CID : 5770

分子式: C₃₃H₄₀N₂O₉ 分子量: 608.68

IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N

InChI: 1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,See more
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丁苯那嗪
- ≥98%
CAS号: 58-46-8 EC号: 200-383-6 Compound CID : 6018

分子式: C₁₉H₂₇NO₃ 分子量: 317.42

IUPAC Name: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC

InChIKey: MKJIEFSOBYUXJB-UHFFFAOYSA-N

InChI: 1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
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凯他色林
- ≥97%
CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2

分子式: C₂₂H₂₂FN₃O₃ 分子量: 395.43

IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N

InChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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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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Tetrabenazine Racemate
- 10mM in DMSO
CAS号: 718635-93-9 Compound CID : 6018

分子式: C₁₉H₂₇NO₃ 分子量: 317.4
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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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