配体家族 - 小分子和化合物库

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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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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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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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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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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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