激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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阿卡拉布替尼（ACP-196）
- 10mM in DMSO
CAS号 : 1420477-60-6(DMSO)

分子式: C₂₆H₂₃N₇O₂ 分子量: 465.51

SMILES: CC#CC(=O)N1CCCC1C2=NC(=C3[N]2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=NC=CC=C5
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鹰嘴豆芽素A
- 10mM in DMSO
CAS号 : 491-80-5(DMSO)

分子式: C₁₆H₁₂O₅ 分子量: 284.26

SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
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黄豆苷原
- 10mM in DMSO
CAS号 : 486-66-8(DMSO)

分子式: C₁₅H₁₀O₄ 分子量: 254.24

SMILES: OC1=CC=C(C=C1)C2=COC3=CC(=CC=C3C2=O)O
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AMG-47a
- ≥98%
CAS号 : 882663-88-9 Compound CID : 16086114

分子式: C₂₉H₂₈F₃N₅O₂ 分子量: 535.56

IUPAC Name: 4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)NCCN5CCOCC5

InChIKey: DVRSTRMZTAPMKO-UHFFFAOYSA-N

InChI: InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36)
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ONO-4059类似物
- ≥98%
CAS号 : 1351635-67-0 Compound CID : 89455219

分子式: C₂₅H₂₄N₆O₃ 分子量: 456.5

IUPAC Name: 6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one

SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChIKey: KSUDUUBCXJUFRL-SFHVURJKSA-N

InChI: InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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DGY-06-116
- ≥97%
CAS号 : 2556836-50-9 Compound CID : 154573782

分子式: C₃₂H₃₃ClN₈O₂ 分子量: 597.11

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(N=C2NC3=CC=CC=C3NC(=O)C=C)NC4=CC=C(C=C4)N5CCN(CC5)C

InChIKey: HLRQYOGLZWIOPA-UHFFFAOYSA-N

InChI: InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)
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圣草酚
- ≥98%
CAS号 : 552-58-9 Compound CID : 440735

分子式: C₁₅H₁₂O₆ 分子量: 288.25

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

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

InChIKey: SBHXYTNGIZCORC-ZDUSSCGKSA-N

InChI: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
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乙酰唑胺
- 10mM in DMSO
CAS号 : 59-66-5 Compound CID : 1986

分子式: C₄H₆N₄O₃S₂ 分子量: 222.25

IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

InChI: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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AMG-47a
- 2mM in DMSO
CAS号 : 882663-88-9 Compound CID : 16086114

分子式: C₂₉H₂₈F₃N₅O₂ 分子量: 535.56

IUPAC Name: 4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)NCCN5CCOCC5

InChIKey: DVRSTRMZTAPMKO-UHFFFAOYSA-N

InChI: InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36)
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CCT196969
- 10mM in DMSO
CAS号 : 1163719-56-9 Compound CID : 42628843

分子式: C₂₇H₂₄FN₇O₃ 分子量: 513.52

IUPAC Name: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5

InChIKey: KYYKGSDLXXKQCR-UHFFFAOYSA-N

InChI: InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
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氯塞酮
- 10mM in DMSO
CAS号 : 77-36-1 Compound CID : 2732

分子式: C₁₄H₁₁ClN₂O₄S 分子量: 338.77

IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

SMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

InChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-N

InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
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Dorsomorphin
- 2mM in DMSO
CAS号 : 866405-64-3

分子式: C₂₄H₂₅N₅O 分子量: 399.49

IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3

InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N

InChI: InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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