配体家族 - 小分子和化合物库

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特立氟胺
- ≥99%
CAS号: 163451-81-8 Compound CID : 54684141

分子式: C₁₂H₉F₃N₂O₂ 分子量: 270.21

IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide

SMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O

InChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-N

InChI: 1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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甲氧苄氨嘧啶
- ≥99%
CAS号: 738-70-5 Compound CID : 5578

分子式: C₁₄H₁₈N₄O₃ 分子量: 290.32

IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

InChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N

InChI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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托非索泮
- ≥98%
CAS号: 22345-47-7 EC号: 244-922-3 Compound CID : 5502

分子式: C₂₂H₂₆N₂O₄ 分子量: 382.45

IUPAC Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

SMILES: CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C

InChIKey: RUJBDQSFYCKFAA-UHFFFAOYSA-N

InChI: 1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
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乙胺嘧啶
- ≥98%
CAS号: 58-14-0 EC号: 200-364-2

分子式: C₁₂H₁₃ClN₄ 分子量: 248.71

IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine

SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

InChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-N

InChI: 1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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Piclamilast,PDE4抑制剂
- ≥99%(HPLC)
CAS号: 144035-83-6 Compound CID : 154575

分子式: C₁₈H₁₈Cl₂N₂O₃ 分子量: 381.25

IUPAC Name: 3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide

SMILES: COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3

InChIKey: RRRUXBQSQLKHEL-UHFFFAOYSA-N

InChI: 1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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Eggmanone,PDE4抑制剂
- ≥98%(HPLC)
CAS号: 505068-32-6

分子式: C₂₀H₂₀N₂O₂S₃ 分子量: 416.58

IUPAC Name: 3-(2-methylprop-2-enyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

SMILES: CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CS3)SC4=C2CCCC4

InChIKey: XAKJIQPEGSCYIP-UHFFFAOYSA-N

InChI: 1S/C20H20N2O2S3/c1-12(2)10-22-19(24)17-13-6-3-4-7-15(13)27-18(17)21-20(22)26-11-14(23)16-8-5-9-25-16/h5,8-9H,1,3-4,6-7,10-11H2,2H3
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布喹那, 二氢烟酸脱氢酶抑制剂 (DUP785)
- ≥98%(HPLC)
CAS号: 96187-53-0

分子式: C₂₃H₁₅F₂NO₂ 分子量: 375.37

IUPAC Name: 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid

SMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O

InChIKey: PHEZJEYUWHETKO-UHFFFAOYSA-N

InChI: 1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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LEO 39652
- 10mM in DMSO
CAS号: 1445656-91-6 Compound CID : 71611998

分子式: C₂₃H₂₃N₃O₅ 分子量: 421.45
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LEO 39652
- ≥99%
CAS号: 1445656-91-6 Compound CID : 71611998

分子式: C₂₃H₂₃N₃O₅ 分子量: 421.45

IUPAC Name: 2-methylpropyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

SMILES: CC(C)COC(=O)C1(CC1)C2=NN3C(=CC=C(C3=N2)OC)C4=CC5=C(C=C4)C(=O)OC5

InChIKey: LUUUHUYQTLUIDG-UHFFFAOYSA-N

InChI: 1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3
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WR99210
- ≥98%
CAS号: 47326-86-3 Compound CID : 121750

分子式: C₁₄H₁₈Cl₃N₅O₂ 分子量: 394.68

IUPAC Name: 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine

SMILES: CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C

InChIKey: MJZJYWCQPMNPRM-UHFFFAOYSA-N

InChI: 1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)
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