 | | 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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 | | 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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 | | JX6 | | Name: | N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Formula: | C22 H33 N3 O5 | | SMILES: | CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C22H33N3O5/c1-22(2,3)12-18(25-21(29)30-14-15-7-5-4-6-8-15)20(28)24-17(13-26)11-16-9-10-23-19(16)27/h4-8,16-18,26H,9-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17+,18-/m0/s1 | | Definition date: | 2023-08-09 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | | JY0 | | Name: | benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | | Formula: | C23 H35 N3 O6 | | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C23H35N3O6/c1-15(32-23(2,3)4)19(26-22(30)31-14-16-8-6-5-7-9-16)21(29)25-18(13-27)12-17-10-11-24-20(17)28/h5-9,15,17-19,27H,10-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t15-,17-,18-,19-/m0/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate |
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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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 | | 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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 | | 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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 | | UAX | | Name: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Formula: | C31 H41 N5 O7 | | SMILES: | CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O | | InChi: | InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23+,24+,25+/m1/s1 | | Synonyms: | (S,S,R)-13b | | Definition date: | 2023-01-31 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate |
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 | | XF6 | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Formula: | C40 H46 N12 O17 P2 S | | SMILES: | Cc1nnc(NC(=O)c2ccc(CCC(=O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C43)cc2)s1 | | InChi: | InChI=1S/C40H46N12O17P2S/c1-17-10-22-23(11-18(17)2)52(27(55)9-6-20-4-7-21(8-5-20)36(59)47-40-49-48-19(3)72-40)29-35(45-39(61)46-37(29)60)50(22)12-24(53)30(56)25(54)13-66-70(62,63)69-71(64,65)67-14-26-31(57)32(58)38(68-26)51-16-44-28-33(41)42-15-43-34(28)51/h4-5,7-8,10-11,15-16,24-26,29-32,38,53-54,56-58H,6,9,12-14H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,46,60,61)(H,47,49,59)/t24-,25+,26+,29?,30-,31+,32+,38+/m0/s1 | | Definition date: | 2023-10-31 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | Y60 | | Name: | (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one | | Formula: | C13 H18 Cl N O | | SMILES: | C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | | InChi: | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m1/s1 | | Definition date: | 2023-11-21 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one |
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 | | A1AIX | | Name: | 13-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-9,10-dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium | | Formula: | C31 H30 N3 O9 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)Cc1c2ccc(OC)c(OC)c2c[n+]2CCc3cc4OCOc4cc3c12 | | InChi: | InChI=1S/C31H29N3O9/c1-40-25-8-7-20-22(13-28(36)32-24(15-35)30(37)17-3-5-19(6-4-17)34(38)39)29-21-12-27-26(42-16-43-27)11-18(21)9-10-33(29)14-23(20)31(25)41-2/h3-8,11-12,14,24,30,35,37H,9-10,13,15-16H2,1-2H3/p+1/t24-,30-/m1/s1 | | Definition date: | 2024-03-26 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | 13-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-9,10-dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium |
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 | | I36 | | Name: | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid | | Formula: | C15 H28 N6 O6 | | SMILES: | C[CH](NC(=O)[CH](CCC[CH](N)C(N)=O)NC(=O)CC[CH](N)C(N)=O)C(O)=O | | InChi: | InChI=1S/C15H28N6O6/c1-7(15(26)27)20-14(25)10(4-2-3-8(16)12(18)23)21-11(22)6-5-9(17)13(19)24/h7-10H,2-6,16-17H2,1H3,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22)(H,26,27)/t7-,8-,9-,10+/m1/s1 | | Definition date: | 2023-07-25 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid |
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 | | IO0 | | Name: | (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid | | Formula: | C14 H23 N3 O6 S | | SMILES: | CC(C)[CH](NC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=S)C(O)=O | | InChi: | InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h6-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1 | | Synonyms: | ACdV thioaldehyde | | Definition date: | 2023-08-01 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(2~{R})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
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 | | VZO | | Name: | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Formula: | C27 H34 N8 O3 | | SMILES: | COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N | | InChi: | InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37) | | Definition date: | 2023-09-07 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide |
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 | | A1D8E | | Name: | ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide | | Formula: | C20 H13 F6 N3 O2 S | | SMILES: | C[C](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N | | InChi: | InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1 | | Synonyms: | monepantel | | Definition date: | 2024-05-20 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide |
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 | | A1D9H | | Name: | tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C27 H41 N5 O5 | | SMILES: | CC(C)(C)OC(=O)N[CH](C(=O)N[CH](Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=N)C(C)(C)C | | InChi: | InChI=1S/C27H41N5O5/c1-26(2,3)21(32-25(36)37-27(4,5)6)24(35)31-20(14-17-10-8-7-9-11-17)23(34)30-19(16-28)15-18-12-13-29-22(18)33/h7-11,16,18-21,28H,12-15H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/b28-16+/t18-,19+,20+,21-/m1/s1 | | Definition date: | 2024-06-27 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
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 | | VIW | | Name: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid | | Formula: | C18 H15 N3 O2 | | SMILES: | Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N | | InChi: | InChI=1S/C18H15N3O2/c19-10-14-12(5-3-6-16(14)20)15-11-21(9-8-18(22)23)17-7-2-1-4-13(15)17/h1-7,11H,8-9,20H2,(H,22,23) | | Definition date: | 2023-09-13 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid |
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 | | VJ7 | | Name: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide | | Formula: | C24 H22 N2 O4 S | | SMILES: | Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14 | | InChi: | InChI=1S/C24H22N2O4S/c1-18-17-26(23-10-6-5-9-22(18)23)16-15-24(27)25-31(28,29)21-13-11-20(12-14-21)30-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27) | | Definition date: | 2023-09-13 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide |
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 | | YFQ | | Name: | beta-N-methylamino-L-alanine | | Formula: | C4 H10 N2 O2 | | SMILES: | CNC[CH](N)C(O)=O | | InChi: | InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-(methylamino)propanoic acid | | Definition date: | 2023-12-04 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | (2~{S})-2-azanyl-3-(methylamino)propanoic acid |
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 | | X3L | | Name: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | | Formula: | C22 H27 N7 O | | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4c(C)[nH]nc4C)cc12 | | InChi: | InChI=1S/C22H27N7O/c1-12(2)29-15(5)21(30)28(6)18-8-7-16(11-19(18)29)24-22-23-10-9-17(25-22)20-13(3)26-27-14(20)4/h7-12,15H,1-6H3,(H,26,27)(H,23,24,25)/t15-/m1/s1 | | Definition date: | 2023-10-20 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
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 | | VRW | | Name: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid | | Formula: | C23 H19 Cl2 N3 O4 | | SMILES: | N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O | | InChi: | InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1 | | Synonyms: | JPH203 | | Definition date: | 2023-08-10 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid |
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 | | A1AE2 | | Name: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol | | Formula: | C33 H51 N5 O4 | | SMILES: | CC(C)NCC(O)COc1ccc(CCCCn2cc(nn2)CCCNCC(O)COc2ccccc2CCC)cc1 | | InChi: | InChI=1S/C33H51N5O4/c1-4-10-28-12-5-6-14-33(28)42-25-30(39)21-34-19-9-13-29-23-38(37-36-29)20-8-7-11-27-15-17-32(18-16-27)41-24-31(40)22-35-26(2)3/h5-6,12,14-18,23,26,30-31,34-35,39-40H,4,7-11,13,19-22,24-25H2,1-3H3 | | Definition date: | 2024-02-19 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol |
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 | | A1APU | | Name: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide | | Formula: | C36 H35 N3 O4 S | | SMILES: | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 | | InChi: | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide |
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