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Bosutinib (SKI-606)
- 10mM in DMSO
CAS号 : 380843-75-4(DMSO)

分子式: C₂₆H₂₉Cl₂N₅O₃ 分子量: 530.45

SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Foretinib (GSK1363089)
- 10mM in DMSO
CAS号 : 849217-64-7(DMSO)

分子式: C₃₄H₃₄F₂N₄O₆ 分子量: 632.65

SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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Alprostadil
- 10mM in DMSO
CAS号 : 745-65-3(DMSO)

分子式: C₂₀H₃₄O₅ 分子量: 354.48

SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O
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TAK-901
- 10mM in DMSO
CAS号 : 934541-31-8(DMSO)

分子式: C₂₈H₃₂N₄O₃S 分子量: 504.64

SMILES: CC[S](=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C)C3=C2C4=C([NH]3)N=CC(=C4)C)C(=O)NC5CCN(C)CC5
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木犀草苷
- 10mM in DMSO
CAS号 : 5373-11-5

分子式: C₂₁H₂₀O₁₁ 分子量: 448.38

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

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

InChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-N

InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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芒柄花苷
- 10mM in DMSO
CAS号 : 486-62-4

分子式: C₂₂H₂₂O₉ 分子量: 430.4

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

SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

InChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-N

InChI: InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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PD173955
- 10mM in DMSO
CAS号 : 260415-63-2 Compound CID : 447077

分子式: C₂₁H₁₆Cl₂N₄OS 分子量: 443.35

IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one

SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC

InChIKey: VAARYSWULJUGST-UHFFFAOYSA-N

InChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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RO1138452
- 10mM in DMSO
CAS号 : 221529-58-4 Compound CID : 9839644

分子式: C₁₉H₂₃N₃O 分子量: 309.4

IUPAC Name: N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

SMILES: CC(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=NCCN3

InChIKey: GYYRMJMXXLJZAB-UHFFFAOYSA-N

InChI: InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)
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特女贞苷
- 10mM in DMSO
CAS号 : 449733-84-0 Compound CID : 11146840

分子式: C₃₁H₄₂O₁₇ 分子量: 686.66

IUPAC Name: methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(C(C(O3)OCCC4=CC=C(C=C4)O)O)O)O

InChIKey: STKUCSFEBXPTAY-GSUVRYNNSA-N

InChI: InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
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Selexipag
- 10mM in DMSO
CAS号 : 475086-01-2 Compound CID : 9913767

分子式: C₂₆H₃₂N₄O₄S 分子量: 496.62

IUPAC Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide

SMILES: CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey: QXWZQTURMXZVHJ-UHFFFAOYSA-N

InChI: InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
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