| A1A1W | Name: | N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide | Formula: | C21 H23 F3 N2 O3 | SMILES: | O=C1COC(CN1C12CC(C1)C2)CNC(=O)C1(CC1)c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C21H23F3N2O3/c22-21(23,24)15-3-1-14(2-4-15)20(5-6-20)18(28)25-10-16-11-26(17(27)12-29-16)19-7-13(8-19)9-19/h1-4,13,16H,5-12H2,(H,25,28)/t13-,16-,19-/m1/s1 | Definition date: | 2024-08-13 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
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| A1H17 | Name: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane | Formula: | C16 H15 Cl2 N3 O4 S | SMILES: | CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23 | InChi: | InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3 | Definition date: | 2024-01-15 | Last modified: | 2024-05-14 | Release date: | 2024-04-03 | Identifier: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide |
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| ZTE | Name: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide | Formula: | C16 H16 N6 O4 S2 | SMILES: | NC(=O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1 | InChi: | InChI=1S/C16H16N6O4S2/c17-10(5-13(18)23)16(24)22-28(25,26)9-3-1-2-8(4-9)12-6-11-14(27-12)15(19)21-7-20-11/h1-4,6-7,10H,5,17H2,(H2,18,23)(H,22,24)(H2,19,20,21)/t10-/m0/s1 | Definition date: | 2023-07-04 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide |
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| VIU | Name: | 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine | Formula: | C23 H29 N3 S | SMILES: | CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5 | InChi: | InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3 | Definition date: | 2023-03-08 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine |
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| Y4I | Name: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione | Formula: | C19 H26 N5 O10 P S | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=S)N3C[CH](CO)O[CH](C3)N4C=CC(=O)NC4=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C19H26N5O10PS/c1-10-5-24(19(30)21-17(10)28)15-4-12(26)13(34-15)9-32-35(31,36)22-6-11(8-25)33-16(7-22)23-3-2-14(27)20-18(23)29/h2-3,5,11-13,15-16,25-26H,4,6-9H2,1H3,(H,31,36)(H,20,27,29)(H,21,28,30)/t11-,12-,13+,15+,16+,35-/m0/s1 | Definition date: | 2023-11-20 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione |
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| VSN | Name: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine | Formula: | C10 H15 N5 O10 P2 S | SMILES: | OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O | InChi: | InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2023-09-16 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine |
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| 0FL | Name: | 3-amino-N-formyl-L-alanine | Formula: | C4 H8 N2 O3 | SMILES: | O=CNC(C(=O)O)CN | InChi: | InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | 3-amino-N-formyl-L-alanine |
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| 0MG | Name: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium | Formula: | C7 H15 N4 O3 | SMILES: | O=C(C(=O)O)C(N)CCCNC(=[NH2+])N | InChi: | InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium |
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| PJJ | Name: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid | Formula: | C19 H23 N O3 | SMILES: | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 | Definition date: | 2010-08-20 | Last modified: | 2023-11-03 | Identifier: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid |
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| PTR | Name: | O-PHOSPHOTYROSINE | Formula: | C9 H12 N O6 P | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O | InChi: | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | Synonyms: | PHOSPHONOTYROSINE | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | O-phosphono-L-tyrosine |
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| PUK | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine | Formula: | C18 H22 N2 O2 | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1 | Definition date: | 2009-02-06 | Last modified: | 2023-11-03 | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine |
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| T9E | Name: | Selenothreonine | Formula: | C4 H9 N O2 Se | SMILES: | C[CH]([SeH])[CH](N)C(O)=O | InChi: | InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1 | Definition date: | 2018-02-17 | Last modified: | 2023-11-03 | Release date: | 2019-02-20 | Identifier: | (2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid |
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| L2O | Name: | (2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid | Formula: | C7 H15 N O3 | SMILES: | O=C(O)C(O)C(N)CC(C)C | InChi: | InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 | Definition date: | 2010-10-09 | Last modified: | 2023-11-03 | Identifier: | (2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid |
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| TPO | Name: | PHOSPHOTHREONINE | Formula: | C4 H10 N O6 P | SMILES: | O=P(O)(O)OC(C(N)C(=O)O)C | InChi: | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | Synonyms: | PHOSPHONOTHREONINE | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | O-phosphono-L-threonine |
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| VLT | Name: | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid | Formula: | C11 H13 N O3 | SMILES: | O=C(O)C=CC(N)Cc1ccc(O)cc1 | InChi: | InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid |
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| DC0 | Name: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine | Formula: | C15 H24 N2 O2 | SMILES: | O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1 | InChi: | InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1 | Definition date: | 2010-10-09 | Last modified: | 2023-11-03 | Identifier: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine |
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| AR0 | Name: | 4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol | Formula: | C14 H25 N5 O3 | SMILES: | O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N | InChi: | InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1 | Definition date: | 2010-09-17 | Last modified: | 2023-11-03 | Identifier: | 4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol |
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| WZ0 | Name: | coumaphos | Formula: | C14 H16 Cl O5 P S | SMILES: | CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C | InChi: | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 | Synonyms: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate |
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| ZVJ | Name: | Fenoterol | Formula: | C17 H21 N O4 | SMILES: | Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1 | InChi: | InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1 | Definition date: | 2023-04-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol |
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| WNF | Name: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid | Formula: | C15 H20 O3 | SMILES: | O=C(O)C1CCCCC1COc1cc(C)ccc1 | InChi: | InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid |
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| N6I | Name: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one | Formula: | C25 H26 Cl N5 O3 | SMILES: | Clc1cccc(c1)C(O)CNC=1C=CNC(=O)C=1c1nc2c(cc(cc2C)N2CCOCC2)[NH]1 | InChi: | InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1 | Definition date: | 2022-03-24 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one |
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| Z80 | Name: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine | Formula: | C17 H19 Cl N2 S | SMILES: | CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 | InChi: | InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | Synonyms: | Chlorpromazine | Definition date: | 2010-02-24 | Last modified: | 2022-10-05 | Identifier: | 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine |
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| K2F | Name: | 2'-methoxyethyl-adenosine-5'-thiophosphate | Formula: | C13 H20 N5 O7 P S | SMILES: | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C13H20N5O7PS/c1-22-2-3-23-10-9(19)7(4-24-26(20,21)27)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,27)/t7-,9-,10-,13-/m1/s1 | Synonyms: | (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol | Definition date: | 2022-05-16 | Last modified: | 2022-09-09 | Release date: | 2022-09-14 | Identifier: | (2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol |
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| K39 | Name: | 2'-methoxyethyl-guanosine-5'-thiophosphate | Formula: | C13 H20 N5 O8 P S | SMILES: | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C13H20N5O8PS/c1-23-2-3-24-9-8(19)6(4-25-27(21,22)28)26-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,28)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1 | Synonyms: | 2-azanyl-9-[(2R,3R,4R,5R)-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1H-purin-6-one | Definition date: | 2022-05-17 | Last modified: | 2022-09-09 | Release date: | 2022-09-14 | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
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| 9FF | Name: | 1H-indole-2-carbaldehyde | Formula: | C9 H7 N O | SMILES: | O=Cc1[nH]c2ccccc2c1 | InChi: | InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H | Definition date: | 2022-03-11 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 1~{H}-indole-2-carbaldehyde |
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