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BMS-986188CAS号 : 1776115-10-6 Compound CID : 118737394分子式: C30H31BrO4 分子量: 535.47IUPAC Name: 9-[4-[(2-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dioneSMILES: CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5Br)C(=O)C1)CInChIKey: BBCHHZHONQIODT-UHFFFAOYSA-NInChI: InChI=1S/C30H31BrO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)18-9-11-20(12-10-18)34-17-19-7-5-6-8-21(19)31/h5-12,26H,13-17H2,1-4H3
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AlvimopanCAS号 : 156053-89-3 Compound CID : 5488548分子式: C25H32N2O4 分子量: 424.53IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acidSMILES: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)OInChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-NInChI: InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
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N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamideCAS号 : 404933-13-7 Compound CID : 661788分子式: C29H27N3O5 分子量: 497.5IUPAC Name: N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamideSMILES: CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OCInChIKey: QPNJPCYYDZIJJR-UHFFFAOYSA-NInChI: InChI=1S/C29H27N3O5/c1-19(33)30-22-10-12-23(13-11-22)37-18-21-16-20(9-14-27(21)35-2)28-31-26-8-4-3-7-25(26)29(34)32(28)17-24-6-5-15-36-24/h3-16,28,31H,17-18H2,1-2H3,(H,30,33)
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6-Ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-2,6-methano-3-benzazocin-8-olCAS号 : 83829-76-9 Compound CID : 1223分子式: C20H29NO2 分子量: 315.4IUPAC Name: 1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-olSMILES: CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4(CC4)OInChIKey: ZDXGFIXMPOUDFF-UHFFFAOYSA-NInChI: InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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7-BenzylidenenaltrexoneCAS号 : 153611-34-8 Compound CID : 5310988分子式: C27H27NO4 分子量: 429.5IUPAC Name: (4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-oneSMILES: C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)OInChIKey: WXOUFNFMPVMGFZ-BDQAUFNLSA-NInChI: InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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CyprodimeCAS号 : 118111-54-9 Compound CID : 5748293分子式: C22H29NO3 分子量: 355.5IUPAC Name: (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-oneSMILES: COC1=CC=CC2=C1C34CCN(C(C2)C3(CCC(=O)C4)OC)CC5CC5InChIKey: INUCRGMCKDQKNA-CEMLEFRQSA-NInChI: InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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Cyclorphan分子式: C20H27NO 分子量: 297.4IUPAC Name: (1R,9R,10R)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-olSMILES: C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CC5CC5InChIKey: NLBUEDSBXVNAPB-DFQSSKMNSA-NInChI: InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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ClocinnamoxCompound CID : 6540640分子式: C29H29ClN2O4 分子量: 505IUPAC Name: (E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamideSMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)ClInChIKey: RAURUSFBVQLAPW-DNIKMYEQSA-NInChI: InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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穗花杉双黄酮分子式: C30H18O10 分子量: 538.46IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)OInChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-NInChI: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
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