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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
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2-({2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl}(methyl)amino)acetic acidCompound CID : 11552757分子式: C22H27NO5 分子量: 385.5IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acidSMILES: CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)OInChIKey: FKPLJWGRBCQLTL-UHFFFAOYSA-NInChI: InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)
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ORG-25935 free baseCAS号 : 1147011-84-4 Compound CID : 11717074分子式: C21H25NO3 分子量: 339.4IUPAC Name: 2-[[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acidSMILES: CN(CC1CCC2=C(C1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)OInChIKey: UEBBYLJZCHTLEG-UTKZUKDTSA-NInChI: InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1
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Ethanone, 1-[3-fluoro-4-[4-[2-(4-morpholinyl)-5-nitrobenzoyl]-1-piperazinyl]phenyl]-CAS号 : 310415-30-6 Compound CID : 11396919分子式: C23H25FN4O5 分子量: 456.5IUPAC Name: 1-[3-fluoro-4-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]phenyl]ethanoneSMILES: CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)FInChIKey: NEFFMZJKQNSKMQ-UHFFFAOYSA-NInChI: InChI=1S/C23H25FN4O5/c1-16(29)17-2-4-22(20(24)14-17)25-6-8-27(9-7-25)23(30)19-15-18(28(31)32)3-5-21(19)26-10-12-33-13-11-26/h2-5,14-15H,6-13H2,1H3
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SSR-504734 free baseCAS号 : 742693-38-5 Compound CID : 9954540分子式: C20H20ClF3N2O 分子量: 396.8IUPAC Name: 2-chloro-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamideSMILES: C1CCNC(C1)C(C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)ClInChIKey: MEZRZVWPLXVLSO-WMZOPIPTSA-NInChI: InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
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PP242,mTOR抑制剂CAS号 : 1092351-67-1 Compound CID : 135565635分子式: C16H16N6O 分子量: 308.34IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-olSMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)NInChIKey: MFAQYJIYDMLAIM-UHFFFAOYSA-NInChI: InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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Bitopertin,非竞争性抑制剂CAS号 : 845614-11-1 Compound CID : 24946690分子式: C21H20F7N3O4S 分子量: 543.46IUPAC Name: [4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanoneSMILES: CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)FInChIKey: YUUGYIUSCYNSQR-LBPRGKRZSA-NInChI: InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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ASP 2535,GlyT1抑制剂CAS号 : 374886-51-8 Compound CID : 9800113分子式: C22H18N6O 分子量: 382.42IUPAC Name: 4-[3-(6-phenylpyridin-3-yl)-5-propan-2-yl-1,2,4-triazol-4-yl]-2,1,3-benzoxadiazoleSMILES: CC(C)C1=NN=C(N1C2=CC=CC3=NON=C32)C4=CN=C(C=C4)C5=CC=CC=C5InChIKey: FQGLDGKVKDPVLO-UHFFFAOYSA-NInChI: InChI=1S/C22H18N6O/c1-14(2)21-24-25-22(28(21)19-10-6-9-18-20(19)27-29-26-18)16-11-12-17(23-13-16)15-7-4-3-5-8-15/h3-14H,1-2H3
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Org 24598,胶质甘氨酸转运蛋白GlyT1b抑制剂CAS号 : 372198-97-5 Compound CID : 5311285分子式: C19H20F3NO3 分子量: 367.36IUPAC Name: 2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acidSMILES: CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC(=O)OInChIKey: KZWQAWBTWNPFPW-QGZVFWFLSA-NInChI: InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1
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NFPS,非转运性GlyT1抑制剂CAS号 : 405225-21-0 Compound CID : 5311283分子式: C24H24FNO3 分子量: 393.45IUPAC Name: 2-[[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acidSMILES: CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)OInChIKey: FDORQEIHOKEJNX-UHFFFAOYSA-NInChI: InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)
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PD173955CAS号 : 260415-63-2 Compound CID : 447077分子式: C21H16Cl2N4OS 分子量: 443.35IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-oneSMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SCInChIKey: VAARYSWULJUGST-UHFFFAOYSA-NInChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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