| UVN | Name: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde | Formula: | C11 H12 N2 O4 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 | InChi: | InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15) | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
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| TYT | Name: | TYROSINE DERIVATIVE | Formula: | C18 H20 N2 O4 | SMILES: | O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3 | InChi: | InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+ | Synonyms: | 2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID | Definition date: | 2002-06-21 | Last modified: | 2024-09-27 | Identifier: | 3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine |
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| NMP | Name: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE | Formula: | C17 H32 N6 O3 S | SMILES: | O=C(NCCCS)C(NC(=O)CNC(=O)C(NC(=[N@H])N)C1CCCCC1)C | InChi: | InChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1 | Definition date: | 2002-07-09 | Last modified: | 2024-09-27 | Identifier: | N-[(2R)-2-carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide |
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| ELY | Name: | N~6~,N~6~-diethyl-L-lysine | Formula: | C10 H22 N2 O2 | SMILES: | C(=O)(C(N)CCCCN(CC)CC)O | InChi: | InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 | Synonyms: | (2S)-2-azanyl-6-(diethylamino)hexanoic acid | Definition date: | 2011-03-25 | Last modified: | 2024-09-27 | Identifier: | N~6~,N~6~-diethyl-L-lysine |
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| IJG | Name: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | Formula: | C21 H22 F3 N5 O2 S | SMILES: | CN(CC=C)Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccc(cc4)C(F)(F)F | InChi: | InChI=1S/C21H22F3N5O2S/c1-3-8-29(2)10-17-26-16(11-32-17)20(30)9-15(25-12-20)19-27-18(28-31-19)13-4-6-14(7-5-13)21(22,23)24/h3-7,11,15,25,30H,1,8-10,12H2,2H3/t15-,20-/m1/s1 | Definition date: | 2023-08-01 | Last modified: | 2024-08-02 | Release date: | 2024-08-07 | Identifier: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
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| YQU | Name: | (5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid | Formula: | C23 H19 Cl N2 O2 | SMILES: | Cc1ccc(c2cc3ncn(CCc4ccccc4)c3c(c2)C(=O)O)c(Cl)c1 | InChi: | InChI=1S/C23H19ClN2O2/c1-15-7-8-18(20(24)11-15)17-12-19(23(27)28)22-21(13-17)25-14-26(22)10-9-16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,27,28) | Definition date: | 2023-02-15 | Last modified: | 2024-02-16 | Release date: | 2024-02-21 | Identifier: | (5M)-5-(2-chloro-4-methylphenyl)-1-(2-phenylethyl)-1H-benzimidazole-7-carboxylic acid |
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| HI8 | Name: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one | Formula: | C23 H26 N4 O2 | SMILES: | O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C | InChi: | InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1 | Definition date: | 2023-07-21 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one |
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| TNU | Name: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | Formula: | C9 H15 N3 O S | SMILES: | Cc1nc(sn1)N1CCOC(C)C1C | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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| WML | Name: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid | Formula: | C16 H20 Br N O3 | SMILES: | O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC | InChi: | InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
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| Y3I | Name: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Formula: | C19 H19 Cl N6 | SMILES: | N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(C)CC(N)C1 | InChi: | InChI=1S/C19H19ClN6/c1-11-5-14(22)9-26(8-11)19-16-15(13-4-2-3-12(6-13)7-21)17(20)25-18(16)23-10-24-19/h2-4,6,10-11,14H,5,8-9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1 | Definition date: | 2023-01-03 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
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| Y3O | Name: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Formula: | C19 H19 Cl N6 | SMILES: | N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(N)CCC1C | InChi: | InChI=1S/C19H19ClN6/c1-11-5-6-14(22)9-26(11)19-16-15(13-4-2-3-12(7-13)8-21)17(20)25-18(16)23-10-24-19/h2-4,7,10-11,14H,5-6,9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1 | Definition date: | 2023-01-03 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
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| U2U | Name: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide | Formula: | C23 H21 N3 O4 S | SMILES: | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1 | InChi: | InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | Definition date: | 2022-08-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide |
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| Z9A | Name: | methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate | Formula: | C18 H24 Br N3 O5 | SMILES: | Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1 | InChi: | InChI=1S/C18H24BrN3O5/c1-11(18(26)27-2)21-17(25)14(10-15(20)23)22-16(24)5-3-4-12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t11-,14+/m0/s1 | Definition date: | 2021-04-13 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate |
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| M3U | Name: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide | Formula: | C14 H15 F2 N5 O3 | SMILES: | CNC(=O)[CH]1C[CH](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F | InChi: | InChI=1S/C14H15F2N5O3/c1-17-12(22)11-3-8(24-14(15)16)6-21(11)13(23)7-2-9-10(18-4-7)5-19-20-9/h2,4-5,8,11,14H,3,6H2,1H3,(H,17,22)(H,19,20)/t8-,11+/m0/s1 | Definition date: | 2022-07-21 | Last modified: | 2022-09-09 | Release date: | 2022-09-14 | Identifier: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide |
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| ID0 | Name: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | Formula: | C9 H13 N3 O | SMILES: | CNC(=O)c1n[nH]c2CCCCc12 | InChi: | InChI=1S/C9H13N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H2,1H3,(H,10,13)(H,11,12) | Definition date: | 2022-03-10 | Last modified: | 2022-08-22 | Release date: | 2022-03-16 | Identifier: | ~{N}-methyl-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide |
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| SOK | Name: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one | Formula: | C16 H15 Cl N2 O | SMILES: | Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl | InChi: | InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3 | Definition date: | 2020-11-25 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one |
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| PN9 | Name: | (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate | Formula: | C13 H19 N2 O7 P S | SMILES: | O=C(O)C(CCSC)=[NH+]C=C1/C([O-])=C(C)NC=C1COP(=O)(O)O | InChi: | InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,14,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b10-6-,15-11+ | Synonyms: | PLP-Met adduct intermediate in zwitterionic form | Definition date: | 2022-01-14 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate |
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| E5C | Name: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | Formula: | C17 H23 N O4 | SMILES: | CC[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2 | InChi: | InChI=1S/C17H23NO4/c1-2-11-4-3-5-18(9-11)10-14-7-12-6-13(19)8-15(20)16(12)17(21)22-14/h6,8,11,14,19-20H,2-5,7,9-10H2,1H3/t11-,14+/m0/s1 | Definition date: | 2019-10-17 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (3~{R})-3-[[(3~{S})-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
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| RTQ | Name: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | Formula: | C35 H45 N3 O8 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)CNC(=O)COc4cccc2c4)C5CCCCC5)cc1OC | InChi: | InChI=1S/C35H45N3O8/c1-43-29-17-15-23(19-30(29)44-2)14-16-28-25-11-8-12-26(20-25)45-22-32(40)36-21-31(39)37-33(24-9-4-3-5-10-24)34(41)38-18-7-6-13-27(38)35(42)46-28/h8,11-12,15,17,19-20,24,27-28,33H,3-7,9-10,13-14,16,18,21-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28+,33+/m0/s1 | Synonyms: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | Definition date: | 2020-10-20 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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| R3B | Name: | (2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione | Formula: | C42 H53 N O9 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCCOc6cccc2c6)c(OC)c5)cc1OC | InChi: | InChI=1S/C42H53NO9/c1-46-35-20-18-28(24-36(35)47-2)17-19-34-30-14-10-15-32(25-30)50-22-11-23-51-40-37(48-3)26-31(27-38(40)49-4)39(29-12-6-5-7-13-29)41(44)43-21-9-8-16-33(43)42(45)52-34/h10,14-15,18,20,24-27,29,33-34,39H,5-9,11-13,16-17,19,21-23H2,1-4H3/t33-,34+,39-/m0/s1 | Definition date: | 2020-08-27 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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| MZM | Name: | N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide | Formula: | C5 H8 N4 O3 S2 | SMILES: | NS(=O)(=O)C=1S/C(N(N=1)C)=NC(=O)C | InChi: | InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4- | Synonyms: | Methazolamide | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide |
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| 958 | Name: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione | Formula: | C19 H21 N7 O3 | SMILES: | CN(C)c1nc2N(C)C(=O)N(C)C(=O)c2n1Cc3oc(nn3)c4cccc(C)c4 | InChi: | InChI=1S/C19H21N7O3/c1-11-7-6-8-12(9-11)16-22-21-13(29-16)10-26-14-15(20-18(26)23(2)3)24(4)19(28)25(5)17(14)27/h6-9H,10H2,1-5H3 | Synonyms: | TH5427 | Definition date: | 2017-04-21 | Last modified: | 2021-03-01 | Release date: | 2018-01-31 | Identifier: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione |
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| 18O | Name: | N-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 N4 O7 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc([N+]([O-])=O)cc2 | InChi: | InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-1-3-8(4-2-7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 4-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(4-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 26O | Name: | N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-06-07 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| NHR | Name: | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | Formula: | C23 H22 N4 O8 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)C(C(=O)O)Cc3cc2c(nc(nc2O)N)cc3)CCC(=O)O | InChi: | InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1 | Synonyms: | (10R)-10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | Definition date: | 1999-07-30 | Last modified: | 2020-06-17 | Identifier: | N-({4-[(1R)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-carboxyethyl]phenyl}carbonyl)-L-glutamic acid |
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