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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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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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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SIM1
Compound CID : 156022820

IUPAC Name: N,N'-(11-((2-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)- 3,3-dimethyl-1-oxobutan-2-yl)amino)-2-oxoethoxy)methyl)-11-methyl-3,6,9,13,16,19- hexaoxahenicosaSee more

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCC(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)C)C(=O)NCcSee more

InChIKey: RARNTROXRCXFHV-CMRSQZKGSA-N

InChI: 1S/C79H98Cl2N14O13S3/c1-46-49(4)110-76-66(46)68(54-16-20-57(80)21-17-54)86-60(72-91-89-51(6)94(72)76)37-63(97)82-24-26-102-28-30-104-32-34-106-42-79(11,44-108-41-65(99)88-71(78(8,9)10)75(101)93-40-59(See more
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PF-04979064
- 10mM in DMSO
CAS号: 1220699-06-8 Compound CID : 46866705

分子式: C₂₄H₂₆N₆O₃ 分子量: 446.5
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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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NSC781406
- 10mM in DMSO
CAS号: 1676893-24-5 Compound CID : 127025628

分子式: C₂₉H₂₇F₂N₅O₅S₂ 分子量: 627.68
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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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NSC781406
- ≥99%
CAS号: 1676893-24-5 Compound CID : 127025628

分子式: C₂₉H₂₇F₂N₅O₅S₂ 分子量: 627.68

IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide

SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F

InChIKey: BBRINJUWZRLWKK-UHFFFAOYSA-N

InChI: 1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
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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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PF-04979064
- ≥99%
CAS号: 1220699-06-8 Compound CID : 46866705

分子式: C₂₄H₂₆N₆O₃ 分子量: 446.5

IUPAC Name: 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(6-methylpyridin-3-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

SMILES: CC1=NC=C(C=C1)C2=NC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCN(CC5)C(=O)C(C)O)C

InChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-N

InChI: 1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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PI3Kδ-IN-1
- ≥99%
CAS号: 1911564-39-0 Compound CID : 132220479

分子式: C₂₂H₂₀F₃N₇O₂ 分子量: 471.44

IUPAC Name: 2-(4-acetyl-3,3-dimethyl-2-oxopiperazin-1-yl)-4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzonitrile

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)C2=C(C=CC(=C2)C3=CC(=C4N3N=CN=C4N)C(F)(F)F)C#N

InChIKey: ZDXIDBRGTYDHBQ-UHFFFAOYSA-N

InChI: 1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)
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