 | | A1ETD | | Name: | (2S)-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one | | Formula: | C22 H28 Cl2 N4 O2 | | SMILES: | CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(Cl)c(Cl)c2C1=O)C4CCCC4 | | InChi: | InChI=1S/C22H28Cl2N4O2/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(19(23)20(24)18(14)21(22)29)30-11-6-9-17-25-27-28-26-17/h12,15H,2-11,13H2,1H3,(H,25,26,27,28)/t22-/m0/s1 | | Definition date: | 2025-07-10 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | (2~{S})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one |
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 | | A1ETE | | Name: | (2S)-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one | | Formula: | C23 H30 F2 N4 O2 | | SMILES: | CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(F)c(F)c2C1=O)C4CCCCC4 | | InChi: | InChI=1S/C23H30F2N4O2/c1-2-3-11-23(16-8-5-4-6-9-16)14-15-13-17(20(24)21(25)19(15)22(23)30)31-12-7-10-18-26-28-29-27-18/h13,16H,2-12,14H2,1H3,(H,26,27,28,29)/t23-/m0/s1 | | Definition date: | 2025-07-10 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | (2~{S})-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one |
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 | | A1JBJ | | Name: | 1-[3-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea | | Formula: | C26 H21 F3 N8 S | | SMILES: | Cn1ncc2c(NCc3cccnc3)nc(nc12)c4cccc(NC(=S)Nc5cccc(c5)C(F)(F)F)c4 | | InChi: | InChI=1S/C26H21F3N8S/c1-37-24-21(15-32-37)23(31-14-16-5-4-10-30-13-16)35-22(36-24)17-6-2-8-19(11-17)33-25(38)34-20-9-3-7-18(12-20)26(27,28)29/h2-13,15H,14H2,1H3,(H,31,35,36)(H2,33,34,38) | | Definition date: | 2025-04-28 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 1-[3-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea |
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 | | A1JHA | | Name: | 6-[(3-fluorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione | | Formula: | C15 H11 F N2 O3 | | SMILES: | Fc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1 | | InChi: | InChI=1S/C15H11FN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2,(H,17,19)(H,18,20) | | Definition date: | 2025-06-17 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 6-[(3-fluorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione |
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 | | A1JHB | | Name: | 6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione | | Formula: | C16 H13 F N2 O3 | | SMILES: | Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2 | | InChi: | InChI=1S/C16H13FN2O3/c17-14-4-2-1-3-10(14)7-8-22-11-5-6-12-13(9-11)16(21)19-18-15(12)20/h1-6,9H,7-8H2,(H,18,20)(H,19,21) | | Definition date: | 2025-06-17 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione |
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 | | A1JHC | | Name: | 6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione | | Formula: | C15 H11 Cl N2 O3 | | SMILES: | Clc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1 | | InChi: | InChI=1S/C15H11ClN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2,(H,17,19)(H,18,20) | | Definition date: | 2025-06-17 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione |
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 | | A1JLW | | Name: | 2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid | | Formula: | C9 H8 B O3 | | SMILES: | OC(=O)C[CH]1O[B-]c2ccccc12 | | InChi: | InChI=1S/C9H10BO3/c11-9(12)5-8-6-3-1-2-4-7(6)10-13-8/h1-4,8H,5,10H2,(H,11,12)/q-1/t8-/m1/s1 | | Definition date: | 2025-07-30 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid |
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 | | A1L4A | | Name: | 2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one | | Formula: | C23 H22 N2 O5 | | SMILES: | COc1ccc(cc1)N2N(C)c3ccc(c(C)c3C2=O)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C23H22N2O5/c1-13-16(22(28)21-18(26)5-4-6-19(21)27)11-12-17-20(13)23(29)25(24(17)2)14-7-9-15(30-3)10-8-14/h7-12,26H,4-6H2,1-3H3 | | Definition date: | 2024-09-18 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one |
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 | | A1L6R | | Name: | (1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide | | Formula: | C24 H27 N7 O5 S | | SMILES: | COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4 | | InChi: | InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21+/m0/s1 | | Definition date: | 2024-12-09 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | (1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide |
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 | | A1L9D | | Name: | 4-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide | | Formula: | C32 H31 N3 O7 S2 | | SMILES: | CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(=O)n3cccc3)c(N[S](=O)(=O)c4ccc(OCC)cc4)c5ccccc25 | | InChi: | InChI=1S/C32H31N3O7S2/c1-3-41-24-11-15-26(16-12-24)43(37,38)33-30-21-23(22-31(36)35-19-7-8-20-35)32(29-10-6-5-9-28(29)30)34-44(39,40)27-17-13-25(14-18-27)42-4-2/h5-21,33-34H,3-4,22H2,1-2H3 | | Definition date: | 2025-04-30 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | 4-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide |
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 | | A1MBL | | Name: | (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide | | Formula: | C23 H23 F2 N5 O2 S | | SMILES: | CC(=O)N([CH](C(=O)NC1CCC(F)(F)CC1)c2cnccn2)c3ccc(cc3)c4sncc4 | | InChi: | InChI=1S/C23H23F2N5O2S/c1-15(31)30(18-4-2-16(3-5-18)20-8-11-28-33-20)21(19-14-26-12-13-27-19)22(32)29-17-6-9-23(24,25)10-7-17/h2-5,8,11-14,17,21H,6-7,9-10H2,1H3,(H,29,32)/t21-/m1/s1 | | Definition date: | 2025-08-27 | | Last modified: | 2025-09-12 | | Release date: | 2025-09-17 | | Identifier: | (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[ethanoyl-[4-(1,2-thiazol-5-yl)phenyl]amino]-2-pyrazin-2-yl-ethanamide |
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 | | 2P6 | | Name: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile | | Formula: | C20 H27 N3 O2 | | SMILES: | O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3 | | InChi: | InChI=1S/C20H27N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,15,17-18,21H,4-6,9-14H2/t17-,18-/m0/s1 | | Synonyms: | KYP-2047, bound form | | Definition date: | 2012-03-15 | | Last modified: | 2025-09-12 | | Identifier: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile |
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 | | VDW | | Name: | [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium | | Formula: | C10 H18 N3 O6 S | | SMILES: | [NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O | | InChi: | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2025-09-10 | | Release date: | 2021-05-26 | | Identifier: | [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium |
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 | | 9UT | | Name: | 1,3-thiazole-2,4-dione | | Formula: | C3 H3 N O2 S | | SMILES: | O=C1NC(=O)[SH]=C1 | | InChi: | InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1,7H,(H,4,5,6) | | Definition date: | 2017-07-14 | | Last modified: | 2025-09-10 | | Release date: | 2018-10-10 | | Identifier: | 1,3-thiazole-2,4-dione |
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 | | PRE | | Name: | PREPHENIC ACID | | Formula: | C10 H10 O6 | | SMILES: | OC1C=CC(CC(=O)C(=O)O)(C=C1)C(=O)O | | InChi: | InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+ | | Definition date: | 1999-07-08 | | Last modified: | 2025-09-09 | | Identifier: | (1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid |
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 | | DAH | | Name: | 3,4-DIHYDROXYPHENYLALANINE | | Formula: | C9 H11 N O4 | | SMILES: | Oc1ccc(CC(N)C(=O)O)cc1O | | InChi: | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 | | Synonyms: | L-DOPA | | Definition date: | 1999-07-08 | | Last modified: | 2025-09-09 | | Identifier: | 3-hydroxy-L-tyrosine |
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 | | A1A4Y | | Name: | 3-(methanesulfonyl)propan-1-amine | | Formula: | C4 H11 N O2 S | | SMILES: | NCCCS(C)(=O)=O | | InChi: | InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3 | | Definition date: | 2024-09-05 | | Last modified: | 2025-09-08 | | Release date: | 2025-01-29 | | Identifier: | 3-(methanesulfonyl)propan-1-amine |
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 | | A1A1R | | Name: | (8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one | | Formula: | C25 H25 Cl2 N7 O | | SMILES: | Clc1cccc(Cl)c1N1CN(C)c2c3cc([NH]c3ncc2C1=O)c1cn(nc1)C1CCN(C)CC1 | | InChi: | InChI=1S/C25H25Cl2N7O/c1-31-8-6-16(7-9-31)34-13-15(11-29-34)21-10-17-22-18(12-28-24(17)30-21)25(35)33(14-32(22)2)23-19(26)4-3-5-20(23)27/h3-5,10-13,16H,6-9,14H2,1-2H3,(H,28,30) | | Definition date: | 2024-08-13 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | (8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one |
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 | | A1A1T | | Name: | 7-methyl-2-{[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]amino}-6-[(1R)-1-(thiophen-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C23 H26 N8 S | | SMILES: | CC(c1n(C)c2nc(Nc3cn(nc3)C3CCN(C)CC3)ncc2c1C#N)c1cccs1 | | InChi: | InChI=1S/C23H26N8S/c1-15(20-5-4-10-32-20)21-18(11-24)19-13-25-23(28-22(19)30(21)3)27-16-12-26-31(14-16)17-6-8-29(2)9-7-17/h4-5,10,12-15,17H,6-9H2,1-3H3,(H,25,27,28)/t15-/m0/s1 | | Definition date: | 2024-08-13 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | 7-methyl-2-{[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]amino}-6-[(1R)-1-(thiophen-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | A1A4Q | | Name: | Cladoniamide A | | Formula: | C22 H16 Cl N3 O5 | | SMILES: | Clc1ccc2[NH]c3c4c(OC)c5ccccc5n4C4(O)C(=O)N(C)C(=O)C4(O)c3c2c1 | | InChi: | InChI=1S/C22H16ClN3O5/c1-25-19(27)21(29)15-12-9-10(23)7-8-13(12)24-16(15)17-18(31-2)11-5-3-4-6-14(11)26(17)22(21,30)20(25)28/h3-9,24,29-30H,1-2H3/t21-,22+/m1/s1 | | Definition date: | 2024-09-04 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | (5R,5aR,8aS)-10-chloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione (non-preferred name) |
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 | | R3U | | Name: | (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide | | Formula: | C33 H47 F4 N O6 S | | SMILES: | CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCC(=O)N[S](=O)(=O)c4ccc(OC(F)(F)F)cc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15 | | InChi: | InChI=1S/C33H47F4NO6S/c1-5-21-28-29(34)25(39)15-17-32(28,4)24-14-16-31(3)22(11-12-23(31)27(24)30(21)41)18(2)6-13-26(40)38-45(42,43)20-9-7-19(8-10-20)44-33(35,36)37/h7-10,18,21-25,27-30,39,41H,5-6,11-17H2,1-4H3,(H,38,40)/t18-,21-,22-,23-,24+,25-,27+,28-,29+,30-,31-,32-/m1/s1 | | Definition date: | 2022-11-23 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | (4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide |
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 | | RJC | | Name: | 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea | | Formula: | C32 H49 F N2 O5 S | | SMILES: | CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCNC(=O)N[S](=O)(=O)c4ccccc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15 | | InChi: | InChI=1S/C32H49FN2O5S/c1-5-21-27-28(33)25(36)14-17-32(27,4)24-13-16-31(3)22(11-12-23(31)26(24)29(21)37)19(2)15-18-34-30(38)35-41(39,40)20-9-7-6-8-10-20/h6-10,19,21-29,36-37H,5,11-18H2,1-4H3,(H2,34,35,38)/t19-,21-,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-/m1/s1 | | Definition date: | 2022-11-30 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | 1-[(3~{R})-3-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea |
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 | | A1BTU | | Name: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile | | Formula: | C23 H17 N3 O3 S | | SMILES: | N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1C=CC(=S)NC1=O | | InChi: | InChI=1S/C23H17N3O3S/c24-15-16-8-9-18-17(14-16)4-3-7-19(18)29-21-6-2-1-5-20(21)28-13-12-26-11-10-22(30)25-23(26)27/h1-11,14H,12-13H2,(H,25,27,30) | | Definition date: | 2025-01-20 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile |
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 | | A1CCA | | Name: | (4R)-1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one | | Formula: | C17 H15 F3 N2 O | | SMILES: | Fc1cc(cc(F)c1F)C1CC(=O)N(Cc2ccncc2C)C1 | | InChi: | InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1 | | Definition date: | 2025-05-12 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | (4R)-1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one |
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 | | A1CEV | | Name: | 2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide | | Formula: | C33 H30 Cl F3 N8 O6 | | SMILES: | FC(F)(F)c1ccc(NC(=O)CN2c3nc(nn3C(=O)C3=C2COC23CCN(CC2)C(=O)Cc2nc3ccccc3o2)N2CCOCC2)c(Cl)c1 | | InChi: | InChI=1S/C33H30ClF3N8O6/c34-20-15-19(33(35,36)37)5-6-21(20)38-25(46)17-44-23-18-50-32(28(23)29(48)45-31(44)40-30(41-45)43-11-13-49-14-12-43)7-9-42(10-8-32)27(47)16-26-39-22-3-1-2-4-24(22)51-26/h1-6,15H,7-14,16-18H2,(H,38,46) | | Definition date: | 2025-06-03 | | Last modified: | 2025-09-05 | | Release date: | 2025-09-10 | | Identifier: | 2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide |
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