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瑞德南特(Preladenant)CAS号 : 377727-87-2 Compound CID : 10117987分子式: C25H29N9O3 分子量: 503.56IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amineSMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-NInChI: InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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IB-MECA,A 3激动剂CAS号 : 152918-18-8 Compound CID : 123683分子式: C18H19IN6O4 分子量: 510.29IUPAC Name: (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamideSMILES: CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)OInChIKey: HUJXGQILHAUCCV-MOROJQBDSA-NInChI: InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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7,3',4'-三羟基异黄酮(7,3',4'-THIF)分子式: C15H10O5 分子量: 270.24IUPAC Name: 3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)OInChIKey: DDKGKOOLFLYZDL-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
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PSB 1115,人类A2拮抗剂CAS号 : 152529-79-8 Compound CID : 5311479分子式: C14H14N4O5S 分子量: 350.35IUPAC Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acidSMILES: CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)OInChIKey: UYDRRQPGDSIMNU-UHFFFAOYSA-NInChI: InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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Imaradenant (AZD4635)CAS号 : 1321514-06-0 Compound CID : 86676119分子式: C15H11ClFN5 分子量: 315.73IUPAC Name: 6-(2-chloro-6-methylpyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amineSMILES: CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)FInChIKey: NCWQLHHDGDXIJN-UHFFFAOYSA-NInChI: InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
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PreladenantCAS号 : 377727-87-2 Compound CID : 10117987分子式: C25H29N9O3 分子量: 503.56IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amineSMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-NInChI: InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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RDR 03785CAS号 : 289657-30-3 Compound CID : 2725942分子式: C19H18F3NO4 分子量: 381.35IUPAC Name: 6-[morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxol-5-olSMILES: C1COCCN1C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3O)OCO4InChIKey: AWQPMEGCCWPTRI-UHFFFAOYSA-NInChI: InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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