配体家族 - 小分子和化合物库

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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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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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VRT-043198
- 10mM in DMSO
CAS号: 244133-31-1 Compound CID : 11443029

分子式: C₂₂H₂₉ClN₄O₆ 分子量: 480.9
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PI3K/mTOR Inhibitor-2
- 10mM in DMSO
CAS号: 1848242-58-9 Compound CID : 118616775

分子式: C₂₀H₁₃ClF₂N₄O₄S 分子量: 478.86
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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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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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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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hSMG-1 inhibitor 11j
- ≥99%
CAS号: 1402452-15-6 Compound CID : 71458575

分子式: C₂₇H₂₈ClN₇O₃S 分子量: 566.07

IUPAC Name: 1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea

SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)Cl

InChIKey: RZFJBSIAXYEPBX-UHFFFAOYSA-N

InChI: 1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
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VRT-043198
- ≥98%
CAS号: 244133-31-1 Compound CID : 11443029

分子式: C₂₂H₂₉ClN₄O₆ 分子量: 480.9

IUPAC Name: (3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

SMILES: CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC(=C(C=C2)N)Cl

InChIKey: SOZONDBMOYWSRW-QANKJYHBSA-N

InChI: 1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/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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PI3K/mTOR Inhibitor-2
- ≥98%
CAS号: 1848242-58-9 Compound CID : 118616775

分子式: C₂₀H₁₃ClF₂N₄O₄S 分子量: 478.86

IUPAC Name: N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxypyridin-3-yl]-2,4-difluorobenzenesulfonamide

SMILES: COC1=C(C=C(C=N1)C2=CN3C(=NC=C(C3=O)Cl)C=C2)NS(=O)(=O)C4=C(C=C(C=C4)F)F

InChIKey: LQTYGHZRBUVRMR-UHFFFAOYSA-N

InChI: 1S/C20H13ClF2N4O4S/c1-31-19-16(26-32(29,30)17-4-3-13(22)7-15(17)23)6-12(8-25-19)11-2-5-18-24-9-14(21)20(28)27(18)10-11/h2-10,26H,1H3
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AMG 511
- ≥99%
CAS号: 1253573-53-3 Compound CID : 56947516

分子式: C₂₂H₂₈FN₉O₃S 分子量: 503.55

IUPAC Name: 4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine

SMILES: CC1=NC(=NC(=N1)N)C2=C(N=CC(=C2)C(C)N3CCN(CC3)S(=O)(=O)C)NC4=CC(=C(N=C4)OC)F

InChIKey: KUGIFHQBIIHRIZ-CYBMUJFWSA-N

InChI: 1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
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