配体家族 - 小分子和化合物库

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dBET1
- ≥99%
CAS号: 1799711-21-9

分子式: C₃₈H₃₇ClN₈O₇S 分子量: 785.27

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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]aminSee more

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

InChIKey: LKEGXJXRNBALBV-PMCHYTPCSA-N

InChI: 1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12See more
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dBET1
- 10mM in DMSO
CAS号: 1799711-21-9

分子式: C₃₈H₃₇ClN₈O₇S 分子量: 785.27

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-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]aminSee more

SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

InChIKey: LKEGXJXRNBALBV-PMCHYTPCSA-N

InChI: 1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12See more
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EMD534085
- 10mM in DMSO
CAS号: 858668-07-2 Compound CID : 23634407

分子式: C₂₅H₃₁F₃N₄O₂ 分子量: 476.53
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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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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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EMD534085
- ≥99%
CAS号: 858668-07-2 Compound CID : 23634407

分子式: C₂₅H₃₁F₃N₄O₂ 分子量: 476.53

IUPAC Name: 1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea

SMILES: CN(C)CCNC(=O)NCC1CCC2C(NC3=C(C2O1)C=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChIKey: MARIUIDCPUZLKZ-FUKQBSRTSA-N

InChI: 1S/C25H31F3N4O2/c1-32(2)13-12-29-24(33)30-15-18-9-10-19-22(16-6-4-3-5-7-16)31-21-11-8-17(25(26,27)28)14-20(21)23(19)34-18/h3-8,11,14,18-19,22-23,31H,9-10,12-13,15H2,1-2H3,(H2,29,30,33)/t18-,19+,22+,23See more
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Litronesib
- ≥97%
CAS号: 910634-41-2 Compound CID : 25167017

分子式: C₂₃H₃₇N₅O₄S₂ 分子量: 511.70

IUPAC Name: N-[(5R)-4-(2,2-dimethylpropanoyl)-5-[[2-(ethylamino)ethylsulfonylamino]methyl]-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

SMILES: CCNCCS(=O)(=O)NCC1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2

InChIKey: YVAFBXLHPINSIK-QHCPKHFHSA-N

InChI: 1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1
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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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Litronesib
- 10mM in DMSO
CAS号: 910634-41-2 Compound CID : 25167017

分子式: C₂₃H₃₇N₅O₄S₂ 分子量: 511.70
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