配体家族 - 小分子和化合物库

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8-甲氧基补骨脂素
- ≥98%
CAS号: 298-81-7 EC号: 206-066-9

分子式: C₁₂H₈O₄ 分子量: 216.19

IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N

InChI: 1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
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卡巴拉汀
- ≥99%
CAS号: 123441-03-2 Compound CID : 77991

分子式: C₁₄H₂₂N₂O₂ 分子量: 250.34

IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

SMILES: CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C

InChIKey: XSVMFMHYUFZWBK-NSHDSACASA-N

InChI: 1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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特拉匹韦
- ≥98%
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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甲基硫酸新斯的明
- ≥98%
CAS号: 51-60-5 EC号: 200-109-5

分子式: C₁₃H₂₂N₂O₆S 分子量: 334.39

IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate

SMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

InChIKey: OSZNNLWOYWAHSS-UHFFFAOYSA-M

InChI: 1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
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盐酸多奈哌齐
- ≥98%
CAS号: 120011-70-3

分子式: C₂₄H₂₉NO₃·HCl 分子量: 415.96

IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride

SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl

InChIKey: XWAIAVWHZJNZQQ-UHFFFAOYSA-N

InChI: 1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H
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溴化新斯的明
- ≥99%(T)
CAS号: 114-80-7

分子式: C₁₂H₁₉BrN₂O₂ 分子量: 303.2

IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide

SMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]

InChIKey: LULNWZDBKTWDGK-UHFFFAOYSA-M

InChI: 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
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Telaprevir
- 10mM in DMSO
CAS号: 402957-28-2 Compound CID : 3010818

分子式: C₃₆H₅₃N₇O₆ 分子量: 679.85

IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrSee more

SMILES: CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N

InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2See more
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Ipidacrine
CAS号: 62732-44-9 Compound CID : 604519

分子式: C₁₂H₁₆N₂ 分子量: 188.274

IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine

SMILES: C1CCC2=C(C1)C(=C3CCCC3=N2)N

InChIKey: YLUSMKAJIQOXPV-UHFFFAOYSA-N

InChI: 1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)

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GNE-900
CAS号: 1200126-26-6 Compound CID : 44545757

分子式: C₂₃H₂₁N₅ 分子量: 367.45

IUPAC Name: 12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile

SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(NC5=C4C=C(N=C5)C#N)N=C3

InChIKey: PPYHOOZGDDPLKM-UHFFFAOYSA-N

InChI: 1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)

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