配体家族 - 小分子和化合物库

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美索巴莫
- ≥98%
CAS号: 532-03-6

分子式: C₁₁H₁₅NO₅ 分子量: 241.24

IUPAC Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate

SMILES: COC1=CC=CC=C1OCC(COC(=O)N)O

InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N

InChI: 1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
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(±)-舒必利
- ≥98%(HPLC)
CAS号: 15676-16-1

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

InChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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唑尼沙胺
- ≥98%
CAS号: 68291-97-4 Compound CID : 5734

分子式: C₈H₈N₂O₃S 分子量: 212.22

IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide

SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

InChI: 1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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Indisulam,分子胶
- ≥99%
CAS号: 165668-41-7

分子式: C₁₄H₁₂ClN₃O₄S₂ 分子量: 385.85

IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide

SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl

InChIKey: SETFNECMODOHTO-UHFFFAOYSA-N

InChI: 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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Dimethylfraxetin
- 10mM in DMSO
CAS号: 6035-49-0 Compound CID : 3083928

分子式: C₁₂H₁₂O₅ 分子量: 236.22
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JTT 551
- 10mM in DMSO
CAS号: 776309-04-7 Compound CID : 23080446

分子式: C₃₄H₄₃N₃O₃S₂ 分子量: 605.85
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Dimethylfraxetin
- ≥99%
CAS号: 6035-49-0 Compound CID : 3083928

分子式: C₁₂H₁₂O₅ 分子量: 236.22

IUPAC Name: 6,7,8-trimethoxychromen-2-one

SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC

InChIKey: RAYQKHLZHPFYEJ-UHFFFAOYSA-N

InChI: 1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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JTT 551
- ≥99%
CAS号: 776309-04-7 Compound CID : 23080446

分子式: C₃₄H₄₃N₃O₃S₂ 分子量: 605.85

IUPAC Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid

SMILES: CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O

InChIKey: FKGBFRNVTCFMGU-UHFFFAOYSA-N

InChI: 1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
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PTP1B-IN-3
CAS号: 809272-64-8 Compound CID : 24857885

分子式: C₁₂H₇BrF₂NO₃P 分子量: 396.12

IUPAC Name: [(3-bromo-7-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acid

SMILES: C1=CC2=CC(=C(C=C2C=C1C#N)C(F)(F)P(=O)(O)O)Br

InChIKey: BWJOQFMMTKEZGA-UHFFFAOYSA-N

InChI: 1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)

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Ertiprotafib
- ≥98%
CAS号: 251303-04-5 Compound CID : 157049

分子式: C₃₁H₂₇BrO₃S 分子量: 559.51

IUPAC Name: (2R)-2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid

SMILES: CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C

InChIKey: FONCZICQWCUXEB-RUZDIDTESA-N

InChI: 1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
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