化学生物学-高端化学-阿拉丁aladdin

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1,5-二(4-甲氧苯基)戊-1,4-二烯-3-酮
CAS号 : 2051-07-2 Compound CID : 715840

分子式: C₁₉H₁₈O₃ 分子量: 294.34

IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

SMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC

InChIKey: IOZVKDXPBWBUKY-LQIBPGRFSA-N

InChI: InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+

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N-[1-(2-苯并[B]噻嗯-2-基)环己基)]哌啶马来酸（BTCP HCl）
CAS号 : 112726-66-6 Compound CID : 123692

分子式: C₁₉H₂₅NS 分子量: 299.5

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine

SMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4

InChIKey: RGSVXQJPSWZXOP-UHFFFAOYSA-N

InChI: InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2

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1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷
- ≥97%
CAS号 : 66504-40-3 Compound CID : 9795276

分子式: C₁₁H₁₁Cl₂N 分子量: 228.12

IUPAC Name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane

SMILES: C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl

InChIKey: BSMNRYCSBFHEMQ-UHFFFAOYSA-N

InChI: InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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外消旋托法替尼
- ≥97%
CAS号 : 1259404-17-5 Compound CID : 9926791

分子式: C₁₆H₂₀N₆O 分子量: 312.377

IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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