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普卡必利CAS号 : 179474-81-8 Compound CID : 3052762分子式: C18H26ClN3O3 分子量: 367.87IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamideSMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)ClInChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-NInChI: InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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VUF 10166,5-HT3拮抗剂CAS号 : 155584-74-0 Compound CID : 24278976分子式: C13H15ClN4 分子量: 262.74IUPAC Name: 2-chloro-3-(4-methylpiperazin-1-yl)quinoxalineSMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2ClInChIKey: FFXVTQDGTKEXHF-UHFFFAOYSA-NInChI: InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
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贝美司琼CAS号 : 40796-97-2 Compound CID : 671690分子式: C15H17Cl2NO2 分子量: 314.21IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoateSMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)ClInChIKey: MNJNPLVXBISNSX-PBWFPOADSA-NInChI: InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?
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EMD 386088CAS号 : 54635-62-0 Compound CID : 10131112分子式: C14H15ClN2 分子量: 246.74IUPAC Name: 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleSMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3InChIKey: BPPGPYJBCVXILI-UHFFFAOYSA-NInChI: InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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VUF 10460,H4激动剂CAS号 : 1028327-66-3 Compound CID : 25129523分子式: C15H19N5 分子量: 269.34IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amineSMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)NInChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-NInChI: InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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PU 02,5-HT3受体的负变构调节剂CAS号 : 313984-77-9 Compound CID : 720937分子式: C16H12N4S 分子量: 292.36IUPAC Name: 6-(naphthalen-1-ylmethylsulfanyl)-7H-purineSMILES: C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NC4=C3NC=N4InChIKey: BGMSTNYJYPSLHN-UHFFFAOYSA-NInChI: InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
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PNU 282987,α7nAChR激动剂CAS号 : 711085-63-1 Compound CID : 9795278分子式: C14H17ClN2O 分子量: 264.75IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamideSMILES: C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)ClInChIKey: WECKJONDRAUFDD-ZDUSSCGKSA-NInChI: InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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CI 1020,ETA拮抗剂CAS号 : 162256-50-0 Compound CID : 9870830分子式: C28H26O9 分子量: 506.5IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-oneSMILES: COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)OInChIKey: PWIPORDFWDZCJG-UHFFFAOYSA-NInChI: InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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A 127722,ETA拮抗剂CAS号 : 195704-72-4 Compound CID : 159594分子式: C29H38N2O6 分子量: 510.62IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acidSMILES: CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-NInChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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Macitentan (ACT 064992)CAS号 : 441798-33-0(DMSO)分子式: C19H20Br2N6O4S 分子量: 588.27SMILES: CCCN[S](=O)(=O)NC1=NC=NC(=C1C2=CC=C(Br)C=C2)OCCOC3=NC=C(Br)C=N3
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PrucaloprideCAS号 : 179474-81-8(DMSO)分子式: C18H26ClN3O3 分子量: 367.87SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(N)C3=C2OCC3)Cl
