 | | NU4 | | Name: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide | | Formula: | C11 H10 N2 O2 | | SMILES: | N(c1ccncc1)C(c2ccoc2C)=O | | InChi: | InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14) | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide |
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 | | NUJ | | Name: | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | | Formula: | C11 H17 N3 O | | SMILES: | N(c1nc(C)nc(c1)C)(C)C2CC(C2)O | | InChi: | InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10- | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol |
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 | | NUM | | Name: | N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide | | Formula: | C14 H14 N2 O2 | | SMILES: | N(C(c1ccccn1)=O)CCc2ccc(cc2)O | | InChi: | InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18) | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide |
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 | | K6Y | | Name: | (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide | | Formula: | C24 H22 F N5 O4 | | SMILES: | c1(cc(C)on1)C(C)(O)C#Cc2c(cc3c(c2)c5n(C4CC3C4)c(c(n5)C(N)=O)C(=O)NC)F | | InChi: | InChI=1S/C24H22FN5O4/c1-11-6-18(29-34-11)24(2,33)5-4-12-9-16-15(10-17(12)25)13-7-14(8-13)30-20(23(32)27-3)19(21(26)31)28-22(16)30/h6,9-10,13-14,33H,7-8H2,1-3H3,(H2,26,31)(H,27,32)/t13-,14+,24-/m1/s1 | | Definition date: | 2018-11-02 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide |
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 | | NV7 | | Name: | 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine | | Formula: | C10 H16 N2 O3 S | | SMILES: | N2(CCN(Cc1occc1)CC2)S(C)(=O)=O | | InChi: | InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3 | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine |
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 | | NVD | | Name: | N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine | | Formula: | C11 H15 N5 | | SMILES: | N(C)(C)c2ccc(CNn1cnnc1)cc2 | | InChi: | InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3 | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine |
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 | | NVJ | | Name: | ethyl benzylcarbamate | | Formula: | C10 H13 N O2 | | SMILES: | N(Cc1ccccc1)C(=O)OCC | | InChi: | InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12) | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | ethyl benzylcarbamate |
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 | | NVM | | Name: | [(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone | | Formula: | C11 H14 N2 O S | | SMILES: | N1(CCC(C)CC=C1)C(=O)c2cscn2 | | InChi: | InChI=1S/C11H14N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h2,5,7-9H,3-4,6H2,1H3/t9-/m1/s1 | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | [(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone |
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 | | NW4 | | Name: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one | | Formula: | C13 H23 N O2 | | SMILES: | N1(CCOCC1)C(=O)CCC2CCCCC2 | | InChi: | InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2 | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one |
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 | | NW7 | | Name: | 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide | | Formula: | C11 H13 N3 O3 | | SMILES: | n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC | | InChi: | InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15) | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide |
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 | | NZM | | Name: | cefixime, bound form | | Formula: | C16 H17 N5 O7 S2 | | SMILES: | OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2 | | InChi: | InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1 | | Definition date: | 2019-05-30 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | NZV | | Name: | ceftriaxone, bound form | | Formula: | C18 H20 N8 O8 S3 | | SMILES: | O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C | | InChi: | InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1 | | Definition date: | 2019-05-30 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | JKQ | | Name: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid | | Formula: | C19 H18 N4 O2 S | | SMILES: | CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 | | InChi: | InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1 | | Definition date: | 2019-03-08 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid |
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 | | JL5 | | Name: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid | | Formula: | C29 H31 Cl N4 O4 S | | SMILES: | CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4cc(N5CCN(C)CC5)c(O)c(Cl)c4C | | InChi: | InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid |
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 | | JL8 | | Name: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid | | Formula: | C24 H21 Cl N2 O4 S | | SMILES: | CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(O)c(Cl)c4C | | InChi: | InChI=1S/C24H21ClN2O4S/c1-3-18-19(15-9-10-16(28)21(25)13(15)2)20-22(26-12-27-23(20)32-18)31-17(24(29)30)11-14-7-5-4-6-8-14/h4-10,12,17,28H,3,11H2,1-2H3,(H,29,30)/t17-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid |
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 | | JLB | | Name: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid | | Formula: | C19 H17 N3 O3 S | | SMILES: | CCc1sc2ncnc(O[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3 | | InChi: | InChI=1S/C19H17N3O3S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(25-10(2)19(23)24)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,23,24)/t10-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid |
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 | | JLE | | Name: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid | | Formula: | C25 H22 N4 O2 S | | SMILES: | CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc5[nH]ccc45 | | InChi: | InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
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 | | JLH | | Name: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid | | Formula: | C31 H35 Cl N4 O4 S | | SMILES: | CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C | | InChi: | InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid |
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 | | JLK | | Name: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid | | Formula: | C24 H23 N3 O2 S | | SMILES: | CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C | | InChi: | InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1 | | Definition date: | 2019-03-11 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
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 | | NQ7 | | Name: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one | | Formula: | C13 H13 N3 O2 | | SMILES: | c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23 | | InChi: | InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1 | | Definition date: | 2019-05-23 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one |
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 | | JNW | | Name: | 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid | | Formula: | C13 H12 N2 O5 | | SMILES: | OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O | | InChi: | InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/m0/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid |
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 | | JO2 | | Name: | 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid | | Formula: | C12 H9 N3 O7 | | SMILES: | OC(=O)c1ccc(cc1C(=O)N[CH]2CC(=O)NC2=O)[N+]([O-])=O | | InChi: | InChI=1S/C12H9N3O7/c16-9-4-8(11(18)14-9)13-10(17)7-3-5(15(21)22)1-2-6(7)12(19)20/h1-3,8H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t8-/m0/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid |
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 | | JO5 | | Name: | 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione | | Formula: | C12 H9 N3 O4 | | SMILES: | Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12 | | InChi: | InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/m0/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione |
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 | | JO8 | | Name: | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid | | Formula: | C12 H11 N3 O5 | | SMILES: | Nc1cccc(C(O)=O)c1C(=O)N[CH]2CC(=O)NC2=O | | InChi: | InChI=1S/C12H11N3O5/c13-6-3-1-2-5(12(19)20)9(6)11(18)14-7-4-8(16)15-10(7)17/h1-3,7H,4,13H2,(H,14,18)(H,19,20)(H,15,16,17)/t7-/m0/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid |
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 | | JOB | | Name: | 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione | | Formula: | C12 H9 N3 O4 | | SMILES: | Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1 | | InChi: | InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/m0/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione |
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