按“信号通路”分类 - 小分子和化合物库

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AZD2858,GSK-3抑制剂
- ≥99%
CAS号: 486424-20-8

分子式: C₂₁H₂₃N₇O₃S 分子量: 453.52

IUPAC Name: 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

SMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

InChIKey: FHCSBLWRGCOVPT-UHFFFAOYSA-N

InChI: 1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)
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阿塞那平
- ≥96%
CAS号: 65576-45-6

分子式: C₁₇H₁₆ClNO 分子量: 285.77

IUPAC Name: (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

SMILES: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

InChI: 1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
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2-羟基-3-[5-[(吗啉-4-基)甲基]吡啶-2-基]-1H-吲哚-5-甲腈(AZD1080)
- ≥98%
CAS号: 612487-72-6

分子式: C₁₉H₁₈N₄O₂ 分子量: 334.37

IUPAC Name: 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile

SMILES: C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O

InChIKey: BLTVBQXJFVRPFK-UHFFFAOYSA-N

InChI: 1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
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N-去甲基氯氮平
- ≥98%
CAS号: 6104-71-8

分子式: C₁₇H₁₇ClN₄ 分子量: 312.8

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

SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N

InChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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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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PHA-793887
- ≥95%
CAS号: 718630-59-2

分子式: C₁₉H₃₁N₅O₂ 分子量: 361.48

IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide

SMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C

InChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-N

InChI: 1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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R1530,多RTK抑制剂
- ≥98%
CAS号: 882531-87-5 EC号: 809-817-4 Compound CID : 135398512

分子式: C₁₈H₁₄ClFN₄O 分子量: 356.78

IUPAC Name: 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

SMILES: CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC

InChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-N

InChI: 1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
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罗替戈汀
- ≥98%
CAS号: 99755-59-6 Compound CID : 59227

分子式: C₁₉H₂₅NOS 分子量: 315.47

IUPAC Name: (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

SMILES: CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O

InChIKey: KFQYTPMOWPVWEJ-INIZCTEOSA-N

InChI: 1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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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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星形孢菌素
- ≥98%
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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SB216763,GSK3抑制剂
- ≥98%
CAS号: 280744-09-4 Compound CID : 176158

分子式: C₁₉H₁₂N₂O₂Cl₂ 分子量: 371.22

IUPAC Name: 3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl

InChIKey: JCSGFHVFHSKIJH-UHFFFAOYSA-N

InChI: 1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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SB 415286,GSK3抑制剂
- ≥98%
CAS号: 264218-23-7 Compound CID : 4210951

分子式: C₁₆H₁₀ClN₃O₅ 分子量: 359.72

IUPAC Name: 3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione

SMILES: C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl)[N+](=O)[O-]

InChIKey: PQCXVIPXISBFPN-UHFFFAOYSA-N

InChI: 1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
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