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A1I4Q
A1I4Q
Name:(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
Formula:C14 H16 N2 O2
SMILES:O=C1CC[CH](N2CCCc3ccccc23)C(=O)N1
InChi:InChI=1S/C14H16N2O2/c17-13-8-7-12(14(18)15-13)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12H,3,5,7-9H2,(H,15,17,18)/t12-/m0/s1
Definition date:2025-02-26
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{S})-3-(3,4-dihydro-2~{H}-quinolin-1-yl)piperidine-2,6-dione
A1I4R
A1I4R
Name:(3R)-3-phenylsulfanylpiperidine-2,6-dione
Formula:C11 H11 N O2 S
SMILES:O=C1CC[CH](Sc2ccccc2)C(=O)N1
InChi:InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m1/s1
Definition date:2025-02-26
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{R})-3-phenylsulfanylpiperidine-2,6-dione
A1IBU
A1IBU
Name:2-hydroxy-3-keto-glucal
Formula:C6 H8 O5
SMILES:OC[CH]1OC=C(O)C(=O)[CH]1O
InChi:InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
Synonyms:(2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one
Definition date:2024-05-14
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(2~{R},3~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one
A1IHQ
A1IHQ
Name:carborane inhibitor
Formula:C17 H17 B10 Cl N3 O2 S
SMILES:Clc1cccc(C[CH](NC(=O)CS[B]2345[B]678[B]9%10%11[B]6%12%13[B]27%14[B]%12%15%16[B]3%14%17[B]4%18%19[B]589[B]%10%18%20[C+]%11%13%15[C+]%16%17%19%20)C(=O)NC%21(CC%21)C=N)c1
InChi:InChI=1S/C17H17B10ClN3O2S/c28-11-3-1-2-10(6-11)7-12(14(33)31-15(9-29)4-5-15)30-13(32)8-34-27-22-17-16-18(17,22)20(16)21(16)19(16,17)23(17,22,27)25(19,21,27)26(20,21,27)24(18,20,22)27/h1-3,6,9,12,29H,4-5,7-8H2,(H,30,32)(H,31,33)/q+2/b29-9+/t12-/m0/s1
Synonyms:carborane inhibitor
Definition date:2024-07-09
Last modified:2025-10-24
Release date:2025-10-29
A1IRU
A1IRU
Name:2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one
Formula:C10 H12 O2
SMILES:CC(C)C1=CC=CC(=O)C(=C1)O
InChi:InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
Synonyms:2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
Definition date:2024-10-14
Last modified:2025-10-24
Release date:2025-10-29
Identifier:2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one
A1IRV
A1IRV
Name:1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
Formula:C10 H16 N6 O2 S
SMILES:NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C10H16N6O2S/c11-9(12)16-10(13)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H2,14,17,18)(H6,11,12,13,15,16)
Synonyms:1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide
Definition date:2024-10-14
Last modified:2025-10-24
Release date:2025-10-29
Identifier:1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
A1ISB
A1ISB
Name:(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 4-{2-[4-({2-[2-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)ethoxy]ethoxy}methyl)-1H-1,2,3-triazol-1-yl]ethyl}benzoate
Formula:C57 H65 Cl N8 O15
SMILES:CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc(COCCOCCNc5cccc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c56)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9
InChi:InChI=1S/C57H65ClN8O15/c1-32-9-7-12-44(76-6)57(74)29-43(79-55(73)61-57)33(2)50-56(3,81-50)45(28-47(68)64(4)41-26-35(25-32)27-42(75-5)49(41)58)80-54(72)36-15-13-34(14-16-36)19-21-65-30-37(62-63-65)31-78-24-23-77-22-20-59-39-11-8-10-38-48(39)53(71)66(52(38)70)40-17-18-46(67)60-51(40)69/h7-16,26-27,30,33,40,43-45,50,59,74H,17-25,28-29,31H2,1-6H3,(H,61,73)(H,60,67,69)/b12-7+,32-9+/t33-,40-,43+,44-,45+,50+,56+,57+/m1/s1
Definition date:2024-10-23
Last modified:2025-10-24
Release date:2025-10-29
A1IXA
A1IXA
Name:(3S)-3-phenylsulfanylpiperidine-2,6-dione
Formula:C11 H11 N O2 S
SMILES:O=C1CC[CH](Sc2ccccc2)C(=O)N1
InChi:InChI=1S/C11H11NO2S/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1
Definition date:2024-12-19
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{S})-3-phenylsulfanylpiperidine-2,6-dione
A1JL7
A1JL7
Name:3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid
Formula:C20 H24 N4 O2
SMILES:OC(=O)CCNc1nc(cc(n1)N2CCCc3ccccc23)C4CCC4
InChi:InChI=1S/C20H24N4O2/c25-19(26)10-11-21-20-22-16(14-6-3-7-14)13-18(23-20)24-12-4-8-15-5-1-2-9-17(15)24/h1-2,5,9,13-14H,3-4,6-8,10-12H2,(H,25,26)(H,21,22,23)
Definition date:2025-08-04
Last modified:2025-10-24
Release date:2025-10-29
Identifier:3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid
1T2
1T2
Name:5-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid
Formula:C17 H12 Cl N O6 S
SMILES:C[S](=O)(=O)c1ccc(cc1)C(=O)Nc2c(oc3ccc(Cl)cc23)C(O)=O
InChi:InChI=1S/C17H12ClNO6S/c1-26(23,24)11-5-2-9(3-6-11)16(20)19-14-12-8-10(18)4-7-13(12)25-15(14)17(21)22/h2-8H,1H3,(H,19,20)(H,21,22)
Definition date:2022-10-25
Last modified:2025-10-24
Release date:2025-10-29
Identifier:5-chloranyl-3-[(4-methylsulfonylphenyl)carbonylamino]-1-benzofuran-2-carboxylic acid
A1CCU
A1CCU
Name:GDP-2-deoxy-2-fluoro-beta-L-fucose
Formula:C16 H24 F N5 O14 P2
SMILES:NC1=Nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(O)C3F)C(O)C2O)C(=O)N1
InChi:InChI=1S/C16H24FN5O14P2/c1-4-8(23)10(25)6(17)15(33-4)35-38(30,31)36-37(28,29)32-2-5-9(24)11(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5+,6-,8+,9+,10-,11+,14+,15+/m0/s1
Definition date:2025-05-14
Last modified:2025-10-24
Release date:2025-10-29
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl dihydrogen diphosphate (non-preferred name)
A1CCV
A1CCV
Name:6-deoxy-alpha-D-talopyranose
Formula:C6 H12 O5
SMILES:OC1C(O)C(C)OC(O)C1O
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5+,6+/m1/s1
Definition date:2025-05-14
Last modified:2025-10-24
Release date:2025-10-29
Identifier:6-deoxy-alpha-D-talopyranose
A1CE1
A1CE1
Name:(10xi,13xi,24S)-14beta,17alpha-cholest-5-ene-3beta,24-diol
Formula:C27 H46 O2
SMILES:CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChi:InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
Definition date:2025-06-03
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(10xi,13xi,24S)-14beta,17alpha-cholest-5-ene-3beta,24-diol
A1CRO
A1CRO
Name:N,N-diethyl-N~2~-hexanoyl-D-asparaginyl-N-{(1S)-2-(2,4-difluorophenyl)-1-[(2S,3S,5S,6S)-5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]ethyl}-4-fluoro-L-phenylalaninamide
Formula:C39 H54 F3 N5 O8
SMILES:OC1(OC(C)C(NC1(C)CO)C=O)C(NC(=O)C(Cc1ccc(F)cc1)NC(=O)C(CC(=O)N(CC)CC)NC(=O)CCCCC)Cc1ccc(F)cc1F
InChi:InChI=1S/C39H54F3N5O8/c1-6-9-10-11-34(50)43-31(21-35(51)47(7-2)8-3)36(52)44-30(18-25-12-15-27(40)16-13-25)37(53)45-33(19-26-14-17-28(41)20-29(26)42)39(54)38(5,23-49)46-32(22-48)24(4)55-39/h12-17,20,22,24,30-33,46,49,54H,6-11,18-19,21,23H2,1-5H3,(H,43,50)(H,44,52)(H,45,53)/t24-,30-,31+,32+,33-,38-,39-/m0/s1
Definition date:2025-08-29
Last modified:2025-10-24
Release date:2025-10-29
Identifier:N,N-diethyl-N~2~-hexanoyl-D-asparaginyl-N-{(1S)-2-(2,4-difluorophenyl)-1-[(2S,3S,5S,6S)-5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]ethyl}-4-fluoro-L-phenylalaninamide
A1CYZ
A1CYZ
Name:5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:C13 H19 N6 O8 P S
SMILES:SCC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Definition date:2025-10-20
Last modified:2025-10-24
Release date:2025-10-29
Identifier:5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine
A1EOA
A1EOA
Name:3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid
Formula:C14 H13 N3 O2 S2
SMILES:OC(=O)c1[nH]nc(c1)N(Cc2cscc2)Cc3cscc3
InChi:InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)
Definition date:2025-03-27
Last modified:2025-10-24
Release date:2025-10-29
Identifier:3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid
A1EY2
A1EY2
Name:(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine
Formula:C17 H15 N S
SMILES:N[CH](c1sccc1)c2ccc(cc2)c3ccccc3
InChi:InChI=1S/C17H15NS/c18-17(16-7-4-12-19-16)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17H,18H2/t17-/m1/s1
Definition date:2025-10-16
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine
A1EY3
A1EY3
Name:(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine
Formula:C16 H13 F N2 S
SMILES:N[CH](c1ccc(cc1)c2ccccc2F)c3sccn3
InChi:InChI=1S/C16H13FN2S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(18)16-19-9-10-20-16/h1-10,15H,18H2/t15-/m1/s1
Definition date:2025-10-16
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine
A1EY5
A1EY5
Name:(3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide
Formula:C24 H25 N3 O2 S
SMILES:O=C(CNC(=O)[CH]1CCNC1)N[CH](c2sccc2)c3ccc(cc3)c4ccccc4
InChi:InChI=1S/C24H25N3O2S/c28-22(16-26-24(29)20-12-13-25-15-20)27-23(21-7-4-14-30-21)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,14,20,23,25H,12-13,15-16H2,(H,26,29)(H,27,28)/t20-,23-/m1/s1
Definition date:2025-10-16
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide
A1EY6
A1EY6
Name:(3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide
Formula:C24 H24 F N3 O2 S
SMILES:Fc1ccccc1c2ccc(cc2)[CH](NC(=O)CNC(=O)[CH]3CCNC3)c4sccc4
InChi:InChI=1S/C24H24FN3O2S/c25-20-5-2-1-4-19(20)16-7-9-17(10-8-16)23(21-6-3-13-31-21)28-22(29)15-27-24(30)18-11-12-26-14-18/h1-10,13,18,23,26H,11-12,14-15H2,(H,27,30)(H,28,29)/t18-,23-/m1/s1
Definition date:2025-10-16
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide
A1ISD
A1ISD
Name:(1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16-tetraen-6-yl 4-(2-{4-[4-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-4-oxobutyl]-1H-1,2,3-triazol-1-yl}ethyl)benzoate
Formula:C56 H65 Cl N8 O13
SMILES:CO[CH]1CCC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc(CCCC(=O)Nc5cccc6C(=O)N(Cc56)[CH]7CCC(=O)NC7=O)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9
InChi:InChI=1S/C56H65ClN8O13/c1-31-10-7-14-44(75-6)56(73)28-43(76-54(72)60-56)32(2)50-55(3,78-50)45(27-48(68)63(4)41-25-34(24-31)26-42(74-5)49(41)57)77-53(71)35-18-16-33(17-19-35)22-23-64-29-36(61-62-64)11-8-15-46(66)58-39-13-9-12-37-38(39)30-65(52(37)70)40-20-21-47(67)59-51(40)69/h9-10,12-13,16-19,25-26,29,32,40,43-45,50,73H,7-8,11,14-15,20-24,27-28,30H2,1-6H3,(H,58,66)(H,60,72)(H,59,67,69)/b31-10+/t32-,40+,43+,44-,45+,50+,55+,56+/m1/s1
Definition date:2024-10-23
Last modified:2025-10-24
Release date:2025-10-29
A1ISE
A1ISE
Name:N-[5-(1-{2-[4-({[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}carbonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)pentanoyl]-3-methyl-D-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
Formula:C66 H82 Cl N9 O13 S
SMILES:CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O)O9
InChi:InChI=1S/C66H82ClN9O13S/c1-38-14-13-16-52(86-10)66(84)33-51(87-63(83)71-66)39(2)59-65(7,89-59)53(32-55(79)74(8)48-29-43(28-38)30-50(85-9)56(48)67)88-62(82)45-24-18-41(19-25-45)26-27-75-35-46(72-73-75)15-11-12-17-54(78)70-58(64(4,5)6)61(81)76-36-47(77)31-49(76)60(80)68-34-42-20-22-44(23-21-42)57-40(3)69-37-90-57/h13-14,16,18-25,29-30,35,37,39,47,49,51-53,58-59,77,84H,11-12,15,17,26-28,31-34,36H2,1-10H3,(H,68,80)(H,70,78)(H,71,83)/b16-13+,38-14+/t39-,47-,49+,51+,52-,53+,58+,59+,65+,66+/m1/s1
Definition date:2024-10-23
Last modified:2025-10-24
Release date:2025-10-29
A1IW6
A1IW6
Name:(3~{S})-3-indol-1-ylpiperidine-2,6-dione
Formula:C13 H12 N2 O2
SMILES:O=C1CC[CH](n2ccc3ccccc23)C(=O)N1
InChi:InChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-8-7-9-3-1-2-4-10(9)15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/t11-/m0/s1
Definition date:2024-12-19
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{S})-3-indol-1-ylpiperidine-2,6-dione
A1IW8
A1IW8
Name:(3R)-3-phenylazanylpiperidine-2,6-dione
Formula:C11 H12 N2 O2
SMILES:O=C1CC[CH](Nc2ccccc2)C(=O)N1
InChi:InChI=1S/C11H12N2O2/c14-10-7-6-9(11(15)13-10)12-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14,15)/t9-/m1/s1
Definition date:2024-12-19
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{R})-3-phenylazanylpiperidine-2,6-dione
A1IW9
A1IW9
Name:(3~{R})-3-phenoxypiperidine-2,6-dione
Formula:C11 H11 N O3
SMILES:O=C1CC[CH](Oc2ccccc2)C(=O)N1
InChi:InChI=1S/C11H11NO3/c13-10-7-6-9(11(14)12-10)15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m1/s1
Definition date:2024-12-19
Last modified:2025-10-24
Release date:2025-10-29
Identifier:(3~{R})-3-phenoxypiperidine-2,6-dione

243911

건을2025-10-29부터공개중

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