配体家族 - 小分子和化合物库

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尼莫地平
- ≥98%
CAS号: 66085-59-4 EC号: 266-127-0

分子式: C₂₁H₂₆N₂O₇ 分子量: 418.44

IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

InChI: 1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
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依普利酮
- ≥98%
CAS号: 107724-20-9

分子式: C₂₄H₃₀O₆ 分子量: 414.49

IUPAC Name: methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

SMILES: CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

InChI: 1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
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丙酸氟替卡松
- ≥97%
CAS号: 80474-14-2

分子式: C₂₅H₃₁F₃O₅S 分子量: 500.57

IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF

InChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-N

InChI: 1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25See more
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醛甾酮
- ≥99%
CAS号: 52-39-1 EC号: 200-139-9

分子式: C₂₁H₂₈O₅ 分子量: 360.44

IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde

SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O

InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N

InChI: 1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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A37,ALDH1A1抑制剂
- ≥97%(HPLC)
CAS号: 896795-60-1

分子式: C₂₁H₂₅N₃O₃S₂ 分子量: 431.57

IUPAC Name: ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate

SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCCC3)SC4=CC=CC=C42

InChIKey: SKDRHRAYBYQVNU-UHFFFAOYSA-N

InChI: 1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3
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二硫化四乙基秋兰姆（TETD）
- 10mM in DMSO
CAS号: 97-77-8 EC号: 202-607-8

分子式: C₁₀H₂₀N₂S₄ 分子量: 296.54
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NCT-505
- 10mM in DMSO
CAS号: 2231079-74-4 Compound CID : 134821685

分子式: C₂₇H₂₈FN₅O₃S 分子量: 521.61
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NCT-506
- 10mM in DMSO
CAS号: 2231098-99-8 Compound CID : 137628670

分子式: C₂₅H₂₃FN₄O₃S 分子量: 478.54
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NCT-505
- ≥98%
CAS号: 2231079-74-4 Compound CID : 134821685

分子式: C₂₇H₂₈FN₅O₃S 分子量: 521.61

IUPAC Name: 1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCC(CC4)(C#N)C5=CC=CC=C5)F

InChIKey: XMNLWOQHMQRHDV-UHFFFAOYSA-N

InChI: 1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3
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NCT-506
- ≥99%
CAS号: 2231098-99-8 Compound CID : 137628670

分子式: C₂₅H₂₃FN₄O₃S 分子量: 478.54

IUPAC Name: 1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)F

InChIKey: WIXZFNIBMHEUJH-UHFFFAOYSA-N

InChI: 1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
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Mizacorat
- ≥99%
CAS号: 1893415-00-3 Compound CID : 121248172

分子式: C₂₇H₂₈F₂N₄O₃ 分子量: 494.53

IUPAC Name: 2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide

SMILES: CC(C)C(C(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F

InChIKey: ZQFNDBISEYQVRR-LOSJGSFVSA-N

InChI: 1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
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ZK 216348
- ≥98%
CAS号: 669073-68-1 Compound CID : 9805004

分子式: C₂₄H₂₃F₃N₂O₅ 分子量: 476.45

IUPAC Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide

SMILES: CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C(F)(F)F)O

InChIKey: VRZVKIJRJRBQJT-UHFFFAOYSA-N

InChI: 1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
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