激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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喹夫拉朋
- ≥98%
CAS号 : 136668-42-3 Compound CID : 60923

分子式: C₃₄H₃₅ClN₂O₃S 分子量: 587.17

IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

InChIKey: NZOONKHCNQFYCI-UHFFFAOYSA-N

InChI: InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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柚皮素
- ≥98%
CAS号 : 480-41-1 Compound CID : 439246

分子式: C₁₅H₁₂O₅ 分子量: 272.25

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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水仙环素
- ≥98%
CAS号 : 29477-83-6 Compound CID : 72376

分子式: C₁₄H₁₃NO₇ 分子量: 307.26

IUPAC Name: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

SMILES: C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O

InChIKey: LZAZURSABQIKGB-AEKGRLRDSA-N

InChI: InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
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4-(5-氨基-2-(吡啶-3-基)噻唑并[5,4-d]嘧啶-7-基)-Np-甲苯基哌嗪-1-甲酰胺
CAS号 : 1245319-54-3 Compound CID : 46916382

分子式: C₂₂H₂₂N₈OS 分子量: 446.53

IUPAC Name: 4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES: CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C(=NC(=N3)N)SC(=N4)C5=CN=CC=C5

InChIKey: UWTRKIJAGTTXNM-UHFFFAOYSA-N

InChI: InChI=1S/C22H22N8OS/c1-14-4-6-16(7-5-14)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)32-19(26-17)15-3-2-8-24-13-15/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)

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槲皮素 3-β-D-葡萄糖甙
- ≥90%(HPLC)
CAS号 : 482-35-9 Compound CID : 5280804

分子式: C₂₁H₂₀O₁₂ 分子量: 464.38

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O

InChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-N

InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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银锻苷
- ≥98%(HPLC)
CAS号 : 20316-62-5 Compound CID : 5320686

分子式: C₃₀H₂₆O₁₃ 分子量: 594.52

IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O

InChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-N

InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
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PF-4981517,CYP3A4抑制剂
- ≥98%
CAS号 : 1390637-82-7 Compound CID : 71315139

分子式: C₂₆H₃₂N₈ 分子量: 456.59

IUPAC Name: 1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine

SMILES: CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C

InChIKey: WDWIMDKOXZZYHH-FQEVSTJZSA-N

InChI: InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1
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3,4-二羟基苯甲酸乙酯
- ≥98%
CAS号 : 3943-89-3 Compound CID : 77547

分子式: C₉H₁₀O₄ 分子量: 182.18

IUPAC Name: ethyl 3,4-dihydroxybenzoate

SMILES: CCOC(=O)C1=CC(=C(C=C1)O)O

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N

InChI: InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
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组胺
- ≥96%
CAS号 : 51-45-6 Compound CID : 774

分子式: C₅H₉N₃ 分子量: 111.15

IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine

SMILES: C1=C(NC=N1)CCN

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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安瑞那韦
- ≥97%
CAS号 : 161814-49-9 Compound CID : 65016

分子式: C₂₅H₃₅N₃O₆S 分子量: 505.63

IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

SMILES: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N

InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-N

InChI: InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
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甘宝素
- ≥98%
CAS号 : 38083-17-9 Compound CID : 37907

分子式: C₁₅H₁₇ClN₂O₂ 分子量: 292.76

IUPAC Name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one

SMILES: CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

InChIKey: OWEGWHBOCFMBLP-UHFFFAOYSA-N

InChI: InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
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柚皮素
- ≥97%
CAS号 : 480-41-1 Compound CID : 439246

分子式: C₁₅H₁₂O₅ 分子量: 272.25

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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