按“信号通路”分类 - 小分子和化合物库

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α-细辛脑
- ≥99%
CAS号: 2883-98-9 EC号: 220-743-6

分子式: C₁₂H₁₆O₃ 分子量: 208.25

IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene

SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC

InChIKey: RKFAZBXYICVSKP-AATRIKPKSA-N

InChI: 1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
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α-细辛脑
- ≥99.5%(HPLC)
CAS号: 2883-98-9 EC号: 220-743-6

分子式: C₁₂H₁₆O₃ 分子量: 208.25

IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene

SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC

InChIKey: RKFAZBXYICVSKP-AATRIKPKSA-N

InChI: 1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
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美伐他汀
- ≥96%(HPLC)
CAS号: 73573-88-3

分子式: C₂₃H₃₄O₅ 分子量: 390.51

IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

SMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O

InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N

InChI: 1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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NPS-2143,钙敏感受体 (CaSR) 拮抗剂
- ≥98%
CAS号: 284035-33-2

分子式: C₂₄H₂₅ClN₂O₂ 分子量: 408.93

IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile

SMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

InChI: 1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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奥昔布宁
- ≥98%
CAS号: 5633-20-5

分子式: C₂₂H₃₁NO₃ 分子量: 357.49

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

InChI: 1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
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普伐他汀钠
- ≥98%
CAS号: 81131-70-6

分子式: C₂₃H₃₅O₇Na 分子量: 446.5

IUPAC Name: sodium;(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O.[Na+]

InChIKey: VWBQYTRBTXKKOG-IYNICTALSA-M

InChI: 1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20See more
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辛伐他汀
- ≥97%(HPLC)
CAS号: 79902-63-9 Compound CID : 54454

分子式: C₂₅H₃₈O₅ 分子量: 418.57

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

InChI: 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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阿司咪唑
- ≥98%
CAS号: 68844-77-9 EC号: 272-441-9

分子式: C₂₈H₃₁FN₄O 分子量: 458.57

IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine

SMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

InChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-N

InChI: 1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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卡维地洛
- ≥98%(HPLC)
CAS号: 72956-09-3

分子式: C₂₄H₂₆N₂O₄ 分子量: 406.47

IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

SMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O

InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

InChI: 1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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25-羟基胆甾醇
- ≥99%
CAS号: 2140-46-7

分子式: C₂₇H₄₆O₂ 分子量: 402.653

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N

InChI: 1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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己烯雌酚
- ≥99%
CAS号: 56-53-1 EC号: 200-278-5

分子式: C₁₈H₂₀O₂ 分子量: 268.35

IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI: 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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米托丹
CAS号: 53-19-0 EC号: 200-166-6

分子式: C₁₄H₁₀Cl₄ 分子量: 320.04

IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene

SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl

InChIKey: JWBOIMRXGHLCPP-UHFFFAOYSA-N

InChI: 1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
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