小分子和化合物库
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SB 203186 盐酸盐CAS号: 207572-69-8 Compound CID : 9926639分子式: C16H20N2O2•HCl 分子量: 308.81IUPAC Name: 2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochlorideSMILES: C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32.ClInChIKey: LYMBEMCUJNDSBZ-UHFFFAOYSA-NInChI: 1S/C16H20N2O2.ClH/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15;/h2-3,6-7,12,17H,1,4-5,8-11H2;1H
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SB 243213 二盐酸盐CAS号: 1780372-25-9 Compound CID : 90488853分子式: C22H19F3N4O2 分子量: 501.33IUPAC Name: 5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;dihydrochlorideSMILES: CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.ClInChIKey: UKMTYUXWLKQDNT-UHFFFAOYSA-NInChI: 1S/C22H19F3N4O2.2ClH/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30);2*1H
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SB 242084,5-HT2拮抗剂CAS号: 1049747-87-6 Compound CID : 16219981分子式: C21H19ClN4O2.2HCl 分子量: 467.78IUPAC Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochlorideSMILES: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.ClInChIKey: GCMNSEILNIPNSX-UHFFFAOYSA-NInChI: 1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
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RX 821002 盐酸盐CAS号: 109544-45-8分子式: C12H15ClN2O3 分子量: 270.72IUPAC Name: 2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochlorideSMILES: COC1(COC2=CC=CC=C2O1)C3=NCCN3.ClInChIKey: IMPOOMVZVWKSAP-UHFFFAOYSA-NInChI: 1S/C12H14N2O3.ClH/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12;/h2-5H,6-8H2,1H3,(H,13,14);1H
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ROS 234 二草酸盐CAS号: 1781941-93-2 Compound CID : 56972188分子式: C13H15N5.2C2H2O4 分子量: 421.37IUPAC Name: N-[3-(1H-imidazol-5-yl)propyl]-1H-benzimidazol-2-amine;oxalic acidSMILES: C1=CC=C2C(=C1)NC(=N2)NCCCC3=CN=CN3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)OInChIKey: JKTBCMILCFDKEJ-UHFFFAOYSA-NInChI: 1S/C13H15N5.2C2H2O4/c1-2-6-12-11(5-1)17-13(18-12)15-7-3-4-10-8-14-9-16-10;2*3-1(4)2(5)6/h1-2,5-6,8-9H,3-4,7H2,(H,14,16)(H2,15,17,18);2*(H,3,4)(H,5,6)
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Ro 10-5824 二盐酸盐CAS号: 189744-94-3 Compound CID : 16759174分子式: C17H22Cl2N4 分子量: 353.29IUPAC Name: 2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrimidin-4-amine;dihydrochlorideSMILES: CC1=NC=C(C(=N1)N)CN2CCC(=CC2)C3=CC=CC=C3.Cl.ClInChIKey: UZHMRJRDYCRKIZ-UHFFFAOYSA-NInChI: 1S/C17H20N4.2ClH/c1-13-19-11-16(17(18)20-13)12-21-9-7-15(8-10-21)14-5-3-2-4-6-14;;/h2-7,11H,8-10,12H2,1H3,(H2,18,19,20);2*1H
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Ro 67-7476,mGlu1受体的正变构调节剂CAS号: 298690-60-5 Compound CID : 32681978分子式: C17H18FNO2S 分子量: 319.39IUPAC Name: (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=C(C=C3)FInChIKey: DAEHFYNGSSBGSS-KRWDZBQOSA-NInChI: 1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
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RN 9893 盐酸盐CAS号: 2109450-40-8 Compound CID : 121513879分子式: C₂₁H₂₃F₃N₄O₅S.HCl 分子量: 536.95IUPAC Name: 2-nitro-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzamide;hydrochlorideSMILES: CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].ClInChIKey: ULUOUAGDTULBRZ-UHFFFAOYSA-NInChI: 1S/C21H23F3N4O5S.ClH/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31;/h3-8,13-14H,9-12H2,1-2H3,(H,25,29);1H
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RJR 2403 草酸盐CAS号: 220662-95-3 Compound CID : 23298272分子式: C10H14N2.C2H2O4 分子量: 252.27IUPAC Name: (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine;oxalic acidSMILES: CNCCC=CC1=CN=CC=C1.C(=O)(C(=O)O)OInChIKey: WTIZFOAIQXMQHC-DPZBITMOSA-NInChI: 1S/C10H14N2.C2H2O4/c1-11-7-3-2-5-10-6-4-8-12-9-10;3-1(4)2(5)6/h2,4-6,8-9,11H,3,7H2,1H3;(H,3,4)(H,5,6)/b5-2+;
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R-96544盐酸盐CAS号: 167144-80-1 Compound CID : 16759150分子式: C22H29NO3.HCl 分子量: 391.94IUPAC Name: (3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochlorideSMILES: CN1CC(CC1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)O.ClInChIKey: OUKRSTJUAQEATQ-GZJHNZOKSA-NInChI: 1S/C22H29NO3.ClH/c1-23-16-20(24)15-19(23)12-13-26-22-9-4-3-7-18(22)11-10-17-6-5-8-21(14-17)25-2;/h3-9,14,19-20,24H,10-13,15-16H2,1-2H3;1H/t19-,20-;/m1./s1
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盐酸瑞马西胺CAS号: 111686-79-4 Compound CID : 60510分子式: C17H20N2O•HCl 分子量: 304.82IUPAC Name: 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochlorideSMILES: CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.ClInChIKey: HYQMIUSWZXGTCC-UHFFFAOYSA-NInChI: 1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
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Quinelorane盐酸盐CAS号: 97548-97-5 Compound CID : 68728分子式: C14H22N4.2HCl 分子量: 319.27IUPAC Name: (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;dihydrochlorideSMILES: CCCN1CCCC2C1CC3=CN=C(N=C3C2)N.Cl.ClInChIKey: WDEMLQIGYYLRRX-OWVUFADGSA-NInChI: 1S/C14H22N4.2ClH/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12;;/h9-10,13H,2-8H2,1H3,(H2,15,16,17);2*1H/t10-,13-;;/m1../s1
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