配体家族 - 小分子和化合物库

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OTX015,BET溴结构域抑制剂
- ≥98%
CAS号: 202590-98-5

分子式: C₂₅H₂₂ClN₅O₂S 分子量: 491.99

IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C

InChIKey: GNMUEVRJHCWKTO-FQEVSTJZSA-N

InChI: 1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
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硫康唑硝酸盐
- ≥95%
CAS号: 61318-91-0 Compound CID : 65495

分子式: C₁₈H₁₅Cl₃N₂S·HNO₃ 分子量: 460.76

IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

SMILES: C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

InChIKey: CRKGMGQUHDNAPB-UHFFFAOYSA-N

InChI: 1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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渥曼青霉素
- ≥98%
CAS号: 19545-26-7 Compound CID : 312145

分子式: C₂₃H₂₄O₈ 分子量: 428.43

IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C

InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N

InChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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硝酸益康唑
- ≥98%(HPLC)
CAS号: 24169-02-6 EC号: 246-053-5 Compound CID : 68589

分子式: C₁₈H₁₅Cl₃N₂O·HNO₃ 分子量: 444.7

IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-N

InChI: 1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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ARV-771
- ≥98%
CAS号: 1949837-12-0

分子式: C₄₉H₆₀ClN₉O₇S₂ 分子量: 986.64

IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-See more

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NC(C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

InChIKey: PQOGZKGXGLHDGS-QQRWPDCKSA-N

InChI: 1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-See more
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LT052
- 10mM in DMSO
CAS号: 2543545-44-2 Compound CID : 145925666

分子式: C₂₂H₁₉N₅O₄S 分子量: 449.48
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HJB97
- 10mM in DMSO
CAS号: 2093391-24-1 Compound CID : 135397673

分子式: C₂₆H₂₈N₈O₃ 分子量: 500.55
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CF53
- 10mM in DMSO
CAS号: 1808160-52-2 Compound CID : 118340554

分子式: C₂₄H₂₅N₇O₂ 分子量: 443.50
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CF53
- ≥99%
CAS号: 1808160-52-2 Compound CID : 118340554

分子式: C₂₄H₂₅N₇O₂ 分子量: 443.50

IUPAC Name: N-(5-cyclopropyl-2-methylpyrazol-3-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)C)NC5=CC(=NN5C)C6CC6)OC

InChIKey: JIYPVUCBRQNICX-UHFFFAOYSA-N

InChI: 1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
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LT052
- ≥98%
CAS号: 2543545-44-2 Compound CID : 145925666

分子式: C₂₂H₁₉N₅O₄S 分子量: 449.48

IUPAC Name: 2-methoxy-N-[2-methyl-6-(4-methylimidazol-1-yl)-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide

SMILES: CC1=CN(C=N1)C2=NC3=C(C=CC4=C3C(=C2)C(=O)N4C)NS(=O)(=O)C5=CC=CC=C5OC

InChIKey: FSMTUHGXWGJNKK-UHFFFAOYSA-N

InChI: 1S/C22H19N5O4S/c1-13-11-27(12-23-13)19-10-14-20-16(26(2)22(14)28)9-8-15(21(20)24-19)25-32(29,30)18-7-5-4-6-17(18)31-3/h4-12,25H,1-3H3
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HJB97
- ≥98%
CAS号: 2093391-24-1 Compound CID : 135397673

分子式: C₂₆H₂₈N₈O₃ 分子量: 500.55

IUPAC Name: 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide

SMILES: CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NC

InChIKey: JNYHQYRTYFSMSQ-UHFFFAOYSA-N

InChI: 1S/C26H28N8O3/c1-6-34-20(11-17(32-34)14-7-8-14)29-24-22-15-10-19(36-5)16(21-12(2)33-37-13(21)3)9-18(15)28-23(22)30-25(31-24)26(35)27-4/h9-11,14H,6-8H2,1-5H3,(H,27,35)(H2,28,29,30,31)
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Debio 0932
- ≥99%
CAS号: 1061318-81-7 Compound CID : 44156921

分子式: C₂₂H₃₀N₆O₂S 分子量: 442.58

IUPAC Name: 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine

SMILES: CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4

InChIKey: RVJIQAYFTOPTKK-UHFFFAOYSA-N

InChI: 1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)
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