| A1H8A | Name: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide | Formula: | C21 H19 F N6 O2 S | SMILES: | NC(=N)Nc1sc(CN2[CH](C(=O)NCc3ccc(F)cc3)c4ccccc4C2=O)cn1 | InChi: | InChI=1S/C21H19FN6O2S/c22-13-7-5-12(6-8-13)9-25-18(29)17-15-3-1-2-4-16(15)19(30)28(17)11-14-10-26-21(31-14)27-20(23)24/h1-8,10,17H,9,11H2,(H,25,29)(H4,23,24,26,27)/t17-/m0/s1 | Definition date: | 2024-04-12 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide |
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| A1H8B | Name: | (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione | Formula: | C26 H21 F2 N5 O2 | SMILES: | Nc1ccc2[nH]c(CN3C(=O)c4cc(F)ccc4[C]35CCN(Cc6ccc(F)cc6)C5=O)cc2n1 | InChi: | InChI=1S/C26H21F2N5O2/c27-16-3-1-15(2-4-16)13-32-10-9-26(25(32)35)20-6-5-17(28)11-19(20)24(34)33(26)14-18-12-22-21(30-18)7-8-23(29)31-22/h1-8,11-12,30H,9-10,13-14H2,(H2,29,31)/t26-/m0/s1 | Definition date: | 2024-04-12 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione |
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| A1IIZ | Name: | 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide | Formula: | C23 H27 N9 O7 | SMILES: | CCCNC(=O)[CH](CNC(=O)CN1C=C(C(N)=O)C(=O)NC1=O)NC(=O)CCc2onc(n2)c3cccnc3 | InChi: | InChI=1S/C23H27N9O7/c1-2-7-26-22(37)15(10-27-17(34)12-32-11-14(19(24)35)21(36)30-23(32)38)28-16(33)5-6-18-29-20(31-39-18)13-4-3-8-25-9-13/h3-4,8-9,11,15H,2,5-7,10,12H2,1H3,(H2,24,35)(H,26,37)(H,27,34)(H,28,33)(H,30,36,38)/t15-/m0/s1 | Definition date: | 2024-07-26 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2~{S})-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide |
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| A1IJ4 | Name: | 4-[3-(aminomethyl)phenoxy]butylcarbamic acid | Formula: | C12 H18 N2 O3 | SMILES: | NCc1cccc(OCCCCNC(O)=O)c1 | InChi: | InChI=1S/C12H18N2O3/c13-9-10-4-3-5-11(8-10)17-7-2-1-6-14-12(15)16/h3-5,8,14H,1-2,6-7,9,13H2,(H,15,16) | Definition date: | 2024-08-06 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 4-[3-(aminomethyl)phenoxy]butylcarbamic acid |
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| A1L3H | Name: | (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene | Formula: | C20 H32 | SMILES: | CC1=C2CC[C]3(C)CCC=C(C)[CH]3C[CH](CC1)C2(C)C | InChi: | InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m1/s1 | Definition date: | 2024-08-05 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene |
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| A1LVJ | Name: | 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile | Formula: | C27 H24 F3 N7 O2 | SMILES: | C[CH](NC1=NC(=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc(nc4)C#N)C)c5cccc(C(F)F)c5F | InChi: | InChI=1S/C27H24F3N7O2/c1-15(19-4-3-5-20(23(19)28)25(29)30)33-26-21-14-37(36-8-10-39-11-9-36)27(38)22(24(21)34-16(2)35-26)17-6-7-18(12-31)32-13-17/h3-7,13-15,25H,8-11H2,1-2H3,(H,33,34,35)/t15-/m1/s1 | Definition date: | 2023-12-22 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile |
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| IG8 | Name: | (3~{R})-3-oxidanyldecanoic acid | Formula: | C10 H20 O3 | SMILES: | CCCCCCC[CH](O)CC(O)=O | InChi: | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1 | Definition date: | 2023-08-01 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (3~{R})-3-oxidanyldecanoic acid |
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| K2X | Name: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Formula: | C24 H34 Cl N3 O5 S | SMILES: | Clc1cccc(c1)COC(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S | InChi: | InChI=1S/C24H34ClN3O5S/c25-18-8-4-7-16(11-18)14-33-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)34)13-17-9-10-26-21(17)29/h4,7-8,11,15,17,19-20,23,31,34H,1-3,5-6,9-10,12-14H2,(H,26,29)(H,27,30)(H,28,32)/t17-,19-,20-,23-/m0/s1 | Definition date: | 2023-08-10 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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| ILW | Name: | 1,3,5-trimethoxybenzene | Formula: | C9 H12 O3 | SMILES: | COc1cc(OC)cc(OC)c1 | InChi: | InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 | Definition date: | 2023-08-01 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 1,3,5-trimethoxybenzene |
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| KD9 | Name: | 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate) | Formula: | C24 H24 N5 O15 P3 | SMILES: | O=C(c1ccccc1)c1ccc(cc1)C(=O)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O | InChi: | InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1 | Definition date: | 2023-08-10 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate) |
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| JCI | Name: | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | Formula: | C19 H18 N6 O4 S | SMILES: | CN(Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4[N](=O)=O)C#C | InChi: | InChI=1S/C19H18N6O4S/c1-3-24(2)9-16-21-15(10-30-16)19(26)8-13(20-11-19)18-22-17(23-29-18)12-6-4-5-7-14(12)25(27)28/h1,4-7,10,13,20,26H,8-9,11H2,2H3/t13-,19-/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
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| N60 | Name: | 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide | Formula: | C22 H20 F5 N3 O3 | SMILES: | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13 | InChi: | InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1 | Synonyms: | RO4929097 | Definition date: | 2023-08-22 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide |
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| N9C | Name: | 4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide | Formula: | C22 H23 F3 N4 O4 | SMILES: | C[CH](NC(=O)CCC(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c3ccccc13 | InChi: | InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1 | Synonyms: | Crenigacestat | Definition date: | 2023-08-22 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 4,4,4-tris(fluoranyl)-~{N}-[(2~{S})-1-[[(7~{S})-5-(2-hydroxyethyl)-6-oxidanylidene-7~{H}-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide |
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| O6U | Name: | (2S)-2-[[(2S)-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide | Formula: | C27 H41 F2 N5 O | SMILES: | CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C | InChi: | InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1 | Synonyms: | Nirogacestat | Definition date: | 2023-08-23 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide |
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| PW6 | Name: | (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid | Formula: | C27 H30 O3 | SMILES: | CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(O)=O | InChi: | InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3+,6-4+,9-7-,10-8+,13-11+,14-12-,17-15-,18-16+,21-19+,24-22+,25-23+ | Synonyms: | Dehydro laetiporic acid | Definition date: | 2023-03-07 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (5~{E},7~{Z},9~{E},11~{E},13~{E},15~{Z},17~{E},19~{Z},21~{E},23~{E})-24-methyl-25-oxidanylidene-hexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid |
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| OL9 | Name: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid | Formula: | C21 H21 Cl F2 O4 S | SMILES: | OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 | InChi: | InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+ | Synonyms: | MK-0752 | Definition date: | 2023-08-23 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid |
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| UIY | Name: | 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one | Formula: | C22 H24 N4 O3 | SMILES: | CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1 | InChi: | InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25) | Definition date: | 2023-02-06 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one |
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| UOO | Name: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Formula: | C15 H24 Br N5 O14 P2 | SMILES: | OC1C(COP(=O)(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c3nc2Br)OC(O)C1O | InChi: | InChI=1S/C15H24BrN5O14P2/c16-15-20-7-11(17)18-4-19-12(7)21(15)13(26)8(23)5(22)1-2-32-36(28,29)35-37(30,31)33-3-6-9(24)10(25)14(27)34-6/h4-6,8-10,13-14,22-27H,1-3H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6+,8-,9-,10+,13-,14-/m1/s1 | Definition date: | 2022-08-23 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| UOZ | Name: | [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Formula: | C21 H27 N5 O13 P2 | SMILES: | OC1C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncnc(N)c3nc2c2ccccc2)OC(O)C1O | InChi: | InChI=1S/C21H27N5O13P2/c22-18-15-20(24-9-23-18)26(19(25-15)10-4-2-1-3-5-10)14-6-11(27)12(37-14)7-35-40(31,32)39-41(33,34)36-8-13-16(28)17(29)21(30)38-13/h1-5,9,11-14,16-17,21,27-30H,6-8H2,(H,31,32)(H,33,34)(H2,22,23,24)/t11-,12+,13+,14+,16+,17-,21+/m0/s1 | Definition date: | 2022-08-23 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| Q70 | Name: | (2S,3R)-N'-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide | Formula: | C26 H26 F6 N4 O3 | SMILES: | CN1C(=O)[CH](NC(=O)[CH](CCC(F)(F)F)[CH](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c3ccccc13 | InChi: | InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (2~{S},3~{R})-~{N}'-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide |
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| VNZ | Name: | Ivabradine | Formula: | C27 H36 N2 O5 | SMILES: | COc1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC | InChi: | InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1 | Synonyms: | 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one | Definition date: | 2023-03-20 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 3-[3-[[(7~{S})-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one |
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| EZI | Name: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile | Formula: | C18 H15 N3 O2 | SMILES: | CC(C)C1=Nc2cc(O)ccc2C(=O)N1c3ccc(cc3)C#N | InChi: | InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3 | Synonyms: | Vanilloid receptor antagonist 1 | Definition date: | 2023-06-20 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | 4-(7-oxidanyl-4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)benzenecarbonitrile |
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| FT9 | Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol | Formula: | C26 H28 F6 O3 | SMILES: | CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2 | InChi: | InChI=1S/C26H28F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-3,5,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
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| FVB | Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol | Formula: | C26 H32 F6 O3 | SMILES: | CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(F)F)c2 | InChi: | InChI=1S/C26H32F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-6,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
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| GJX | Name: | (1S,3R)-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one | Formula: | C24 H26 N4 O4 | SMILES: | [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)C34CC5C[CH](C3)C(=O)[CH](C5)C4)c6cccnc16 | InChi: | InChI=1S/C24H26N4O4/c29-22-16-10-15-11-17(22)14-24(12-15,13-16)23(30)27-8-6-26(7-9-27)19-3-4-20(28(31)32)21-18(19)2-1-5-25-21/h1-5,15-17H,6-14H2/t15-,16-,17+,24- | Definition date: | 2020-09-02 | Last modified: | 2024-08-09 | Release date: | 2024-08-14 | Identifier: | (1~{S},3~{R})-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one |
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