配体家族 - 小分子和化合物库

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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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利哌酮
- ≥98%
CAS号: 106266-06-2 Compound CID : 5073

分子式: C₂₃H₂₇FN₄O₂ 分子量: 410.48

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N

InChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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舍吲哚
- ≥95%
CAS号: 106516-24-9 Compound CID : 60149

分子式: C₂₄H₂₆ClFN₄O 分子量: 440.9

IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

SMILES: C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O

InChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-N

InChI: 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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佐米曲坦
- ≥98%(HPLC)
CAS号: 139264-17-8 Compound CID : 60857

分子式: C₁₆H₂₁N₃O₂ 分子量: 287.36

IUPAC Name: (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3

InChIKey: ULSDMUVEXKOYBU-ZDUSSCGKSA-N

InChI: 1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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A37,ALDH1A1抑制剂
- ≥97%(HPLC)
CAS号: 896795-60-1

分子式: C₂₁H₂₅N₃O₃S₂ 分子量: 431.57

IUPAC Name: ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate

SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCCC3)SC4=CC=CC=C42

InChIKey: SKDRHRAYBYQVNU-UHFFFAOYSA-N

InChI: 1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3
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二硫化四乙基秋兰姆（TETD）
- 10mM in DMSO
CAS号: 97-77-8 EC号: 202-607-8

分子式: C₁₀H₂₀N₂S₄ 分子量: 296.54
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NCT-505
- 10mM in DMSO
CAS号: 2231079-74-4 Compound CID : 134821685

分子式: C₂₇H₂₈FN₅O₃S 分子量: 521.61
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NCT-506
- 10mM in DMSO
CAS号: 2231098-99-8 Compound CID : 137628670

分子式: C₂₅H₂₃FN₄O₃S 分子量: 478.54
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NCT-505
- ≥98%
CAS号: 2231079-74-4 Compound CID : 134821685

分子式: C₂₇H₂₈FN₅O₃S 分子量: 521.61

IUPAC Name: 1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCC(CC4)(C#N)C5=CC=CC=C5)F

InChIKey: XMNLWOQHMQRHDV-UHFFFAOYSA-N

InChI: 1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3
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NCT-506
- ≥99%
CAS号: 2231098-99-8 Compound CID : 137628670

分子式: C₂₅H₂₃FN₄O₃S 分子量: 478.54

IUPAC Name: 1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)F

InChIKey: WIXZFNIBMHEUJH-UHFFFAOYSA-N

InChI: 1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
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