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VU 590 二盐酸盐CAS号: 1783987-83-6 Compound CID : 71433535分子式: C24H32N4O7.2HCl 分子量: 561.46IUPAC Name: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;dihydrochlorideSMILES: C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.ClInChIKey: FRYYSUBAHIUBNJ-UHFFFAOYSA-NInChI: 1S/C24H32N4O7.2ClH/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32;;/h1-8H,9-20H2;2*1H
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VTP 27999 三氟乙酸盐CAS号: 1013937-63-7 Compound CID : 121513870分子式: C26H41ClN4O5.CF3CO2H 分子量: 639.1IUPAC Name: methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acidSMILES: CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC.C(=O)(C(F)(F)F)OInChIKey: SYWYSVAEGXHOJO-VIEYARBJSA-NInChI: See more
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UCL 1684,KCa2（SK）通道阻滞剂CAS号: 199934-16-2 Compound CID : 9852584分子式: C34H30Br2N4 分子量: 654.44IUPAC Name: 17,24-diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaene;dibromideSMILES: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]InChIKey: KPNMQIKQVCWNTP-UHFFFAOYSA-NInChI: 1S/C34H28N4.2BrH/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31;;/h1-20H,21-24H2;2*1H
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6,2'，4'-三甲氧基黄酮CAS号: 720675-74-1 Compound CID : 688802分子式: C18H16O5 分子量: 312.32IUPAC Name: 2-(2,4-dimethoxyphenyl)-6-methoxychromen-4-oneSMILES: COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C=C(C=C3)OC)OCInChIKey: WUWFDVDASNSUKP-UHFFFAOYSA-NInChI: 1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3
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TC OT 39,非肽催产素受体部分激动剂CAS号: 479232-57-0 Compound CID : 135413563分子式: C32H40N8O2S 分子量: 600.78IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamideSMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCCC5C(=S)N6CCCN(CC6)CInChIKey: KSNHHKZYKYNBEI-NDEPHWFRSA-NInChI: See more
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TC-MCH 7c,黑色素浓缩激素受体1（MCH1R）拮抗剂CAS号: 864756-35-4 Compound CID : 11654412分子式: C24H25FN2O3 分子量: 408.47IUPAC Name: 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-oneSMILES: C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)FInChIKey: ANCFKYJMXNMYNZ-UHFFFAOYSA-NInChI: 1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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SR 140333,NK1拮抗剂CAS号: 153050-21-6 Compound CID : 108166分子式: C37H45Cl3N2O2 分子量: 656.12IUPAC Name: 1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chlorideSMILES: CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]InChIKey: NQHFSECYQAQZBN-LSYPWIJNSA-MInChI: See more
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SR 1664,PPARγ配体CAS号: 1338259-05-4 Compound CID : 53239854分子式: C33H29N3O5 分子量: 547.6IUPAC Name: 2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acidSMILES: CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)CInChIKey: IIJDFXNUWZTHIM-NRFANRHFSA-NInChI: 1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m0/s1
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SR 142948 水合物,NTS受体拮抗剂, NTS 1 受体拮抗剂CAS号: 184162-64-9分子式: C39H51N5O6·xH2O 分子量: 685.86(anhydrous)IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acidSMILES: CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OCInChIKey: LWULHXVBLMWCHO-UHFFFAOYSA-NInChI: See more
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SB 290157 三氟乙酸盐CAS号: 1140525-25-2 Compound CID : 16760645分子式: C24H29F3N4O6 分子量: 526.51IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acidSMILES: C1=CC=C(C=C1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O)C2=CC=CC=C2.C(=O)(C(F)(F)F)OInChIKey: ZJRMPPVJAQWGEG-FYZYNONXSA-NInChI: See more
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(R)-PFI 2 盐酸盐CAS号: 1627607-87-7 Compound CID : 78243738分子式: C₂₃H₂₅F₄N₃O₃S•HCl 分子量: 535.98IUPAC Name: 8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochlorideSMILES: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.ClInChIKey: ZADKZNVAJGEFLC-ZMBIFBSDSA-NInChI: 1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m1./s1
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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: 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)
