按“信号通路”分类 - 小分子和化合物库

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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号: 870653-45-5 EC号: 635-565-8

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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R406（游离碱）
- ≥99%
CAS号: 841290-80-0 Compound CID : 11213558

分子式: C₂₂H₂₃FN₆O₅ 分子量: 470.45

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI: 1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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蒽[1,9-cd]吡唑-6(2H)-酮
- ≥98%
CAS号: 129-56-6 Compound CID : 8515

分子式: C₁₄H₈N₂O 分子量: 220.233

IUPAC Name: 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

SMILES: C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O

InChIKey: ACPOUJIDANTYHO-UHFFFAOYSA-N

InChI: 1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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NS-1643,HERG（Kv11.1）通道激活器
- ≥98%(HPLC)
CAS号: 448895-37-2

分子式: C₁₅H₁₀F₆N₂O₃ 分子量: 380.24

IUPAC Name: 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea

SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O

InChIKey: NJFVQMRYJZHGME-UHFFFAOYSA-N

InChI: 1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
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CC-930
- ≥98%
CAS号: 899805-25-5

分子式: C₂₁H₂₃F₃N₆O₂ 分子量: 448.44

IUPAC Name: 4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol

SMILES: C1CC(CCC1NC2=NC=C3C(=N2)N(C(=N3)NC4=C(C=C(C=C4F)F)F)C5CCOC5)O

InChIKey: IBGLGMOPHJQDJB-MOKVOYLWSA-N

InChI: 1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1
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达马莫德
- ≥99%
CAS号: 285983-48-4

分子式: C₃₁H₃₇N₅O₃ 分子量: 527.67

IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

InChI: 1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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β-雌二醇
- ≥98%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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β-雌二醇
- ≥99%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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β-雌二醇
- ≥99.5%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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NS-1619,K Ca 1.1通道激活剂
- ≥98%
CAS号: 153587-01-0

分子式: C₁₅H₈F₆N₂O₂ 分子量: 362.23

IUPAC Name: 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O

InChIKey: YLFMCMWKHSDUCT-UHFFFAOYSA-N

InChI: 1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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JNK-IN-7
- ≥98%
CAS号: 1408064-71-0

分子式: C₂₈H₂₇N₇O₂ 分子量: 493.56

IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChIKey: RADRIIWGHYFWPP-WEVVVXLNSA-N

InChI: 1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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炭疽毒素
CAS号: 95751-30-7 Compound CID : 56842037

分子式: C176H289N57O56S7 分子量: 4323.98

IUPAC Name: (2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(See more

SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3CSSCC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CCC(=O)N)NC(See more

InChIKey: CNVQLPPZGABUCM-LIGYZCPXSA-N

InChI: 1S/C176H277N57O55S7/c1-81(2)58-106-149(263)213-110(62-91-67-191-80-197-91)152(266)215-112(64-127(183)246)156(270)231-135(85(8)240)170(284)219-114(69-234)157(271)200-95(36-25-54-192-174(185)186)138(252See more
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