配体家族 - 小分子和化合物库

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Dinaciclib (SCH727965),新型CDK抑制剂
- ≥98%
CAS号: 779353-01-4

分子式: C₂₁H₂₈N₆O₂ 分子量: 396.49

IUPAC Name: 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

SMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCO

InChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-N

InChI: 1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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盐酸法倔唑
- ≥98%(HPLC)
CAS号: 102676-31-3

分子式: C₁₄H₁₃N₃·HCl 分子量: 259.73

IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride

SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl

InChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-N

InChI: 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
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NS 398,COX-2抑制剂
- ≥98%
CAS号: 123653-11-2

分子式: C₁₃H₁₈N₂O₅S 分子量: 314.36

IUPAC Name: N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2

InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-N

InChI: 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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JH-XI-10-02
Compound CID : 133081965

SMILES: O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N([C@H]1CC[C@]3(C(C1)CC[C@@H]1C3CC[C@]3([C@H]1CC[C@@H]3c1ccc3c(c1)cncc3)C)C)C)ccc2

InChIKey: JECHBTRAPARMGI-KMIZWFMDSA-N

InChI: 1S/C53H69N5O9/c1-52-19-15-38(32-37(52)9-10-39-42-12-11-41(53(42,2)20-16-43(39)52)35-8-7-34-17-21-54-33-36(34)31-35)57(3)47(60)18-23-64-25-27-66-29-30-67-28-26-65-24-22-55-44-6-4-5-40-48(44)51(63)58(50See more
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CCT-251921
- 10mM in DMSO
CAS号: 1607837-31-9 Compound CID : 74222277

分子式: C₂₁H₂₃ClN₆O 分子量: 410.90
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7,4'-Dihydroxyflavone
- 10mM in DMSO
CAS号: 2196-14-7 EC号: 805-431-5 Compound CID : 5282073

分子式: C₁₅H₁₀O₄ 分子量: 254.24
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7,4'-二羟基黄酮
- ≥99%
CAS号: 2196-14-7 EC号: 805-431-5 Compound CID : 5282073

分子式: C₁₅H₁₀O₄ 分子量: 254.24

IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

InChIKey: LCAWNFIFMLXZPQ-UHFFFAOYSA-N

InChI: 1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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CCT-251921
- ≥98%
CAS号: 1607837-31-9 Compound CID : 74222277

分子式: C₂₁H₂₃ClN₆O 分子量: 410.90

IUPAC Name: 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

SMILES: CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1

InChIKey: VPJXPDLMACOGIZ-UHFFFAOYSA-N

InChI: 1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
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(+)-Ketoconazole
- ≥99%
CAS号: 142128-59-4 EC号: 265-667-4

分子式: C₂₆H₂₈Cl₂N₄O₄ 分子量: 531.43

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

InChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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(+)-Ketoconazole
- 10mM in DMSO
CAS号: 142128-59-4 EC号: 265-667-4

分子式: C₂₆H₂₈Cl₂N₄O₄ 分子量: 531.43
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