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WDK
WDK
Name:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
Formula:C34 H39 Cl2 F N6 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN(C)C
InChi:InChI=1S/C34H39Cl2FN6O3/c1-43(2)15-5-14-40-32(44)20-28(16-22-8-12-27(37)13-9-22)41-34(46)31(18-24-10-11-26(35)19-29(24)36)42-33(45)30(39)17-23-6-3-4-7-25(23)21-38/h3-4,6-13,19,28,30-31H,5,14-18,20,39H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t28-,30+,31+/m0/s1
Definition date:2023-10-02
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[3-(dimethylamino)propyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
TIK
TIK
Name:dimethyl benzene-1,2-dicarboxylate
Formula:C10 H10 O4
SMILES:COC(=O)c1ccccc1C(=O)OC
InChi:InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Synonyms:Dimethyl phthalate
Definition date:2023-04-22
Last modified:2024-12-20
Release date:2024-12-25
Identifier:dimethyl benzene-1,2-dicarboxylate
TKU
TKU
Name:~{O}1-[(2~{R})-2-ethylhexyl] ~{O}2-[(2~{S})-2-ethylhexyl] benzene-1,2-dicarboxylate
Formula:C24 H38 O4
SMILES:CCCC[CH](CC)COC(=O)c1ccccc1C(=O)OC[CH](CC)CCCC
InChi:InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+
Synonyms:Bis(2-ethylhexyl) phthalate
Definition date:2023-04-26
Last modified:2024-12-20
Release date:2024-12-25
Identifier:~{O}1-[(2~{R})-2-ethylhexyl] ~{O}2-[(2~{S})-2-ethylhexyl] benzene-1,2-dicarboxylate
A1LUV
A1LUV
Name:(5S)-5-HYDROXY-LYSINE
Formula:C6 H15 N2 O3
SMILES:N[CH](CC[CH](O)C[NH3+])C(O)=O
InChi:InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5-/m0/s1
Synonyms:[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium
Definition date:2024-01-22
Last modified:2024-12-20
Release date:2024-12-25
Identifier:[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium
A1LVP
A1LVP
Name:1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione
Formula:C21 H22 N2 O5
SMILES:CN1C(=O)CN(CC=C)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O
InChi:InChI=1S/C21H22N2O5/c1-4-10-23-11-17(26)22(3)14-9-8-13(12(2)18(14)21(23)28)20(27)19-15(24)6-5-7-16(19)25/h4,8-9,24H,1,5-7,10-11H2,2-3H3
Definition date:2023-12-27
Last modified:2024-12-20
Release date:2024-12-25
Identifier:1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione
I7L
I7L
Name:2-naphthalen-2-ylethanoic acid
Formula:C12 H10 O2
SMILES:O=C(O)Cc1ccc2ccccc2c1
InChi:InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
Definition date:2022-02-17
Last modified:2024-12-20
Release date:2022-06-29
Identifier:(naphthalen-2-yl)acetic acid
EJJ
EJJ
Name:N-CARBAMOYL-GLYCINE
Formula:C3 H6 N2 O3
SMILES:NC(=O)NCC(O)=O
InChi:InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
Synonyms:2-(aminocarbonylamino)ethanoic acid
Definition date:2024-01-22
Last modified:2024-12-20
Release date:2024-12-25
Identifier:2-(aminocarbonylamino)ethanoic acid
A1D6P
A1D6P
Name:1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one
Formula:C19 H17 Cl N6 O2
SMILES:CN1N=NN(C1=O)c2cccc(C)c2COc3ccn(n3)c4ccc(Cl)cc4
InChi:InChI=1S/C19H17ClN6O2/c1-13-4-3-5-17(26-19(27)24(2)22-23-26)16(13)12-28-18-10-11-25(21-18)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3
Synonyms:Metyltetraprole
Definition date:2024-03-08
Last modified:2024-12-20
Release date:2024-12-25
Identifier:1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one
8IF
8IF
Name:(Z,2R,4S)-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione
Formula:C20 H28 O5
SMILES:CCCCCC=CC(=O)[CH](C)C[CH](C)C(=O)C1=C(OC)C(=C)OC1=O
InChi:InChI=1S/C20H28O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h10-11,13-14H,4,6-9,12H2,1-3,5H3/t13-,14+/m0/s1
Definition date:2021-10-19
Last modified:2024-12-19
Release date:2022-11-16
Identifier:(~{Z},2~{R},4~{S})-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione
WFP
WFP
Name:3,5-difluoro-L-phenylalanine
Formula:C9 H9 F2 N O2
SMILES:N[CH](Cc1cc(F)cc(F)c1)C(O)=O
InChi:InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
Definition date:2009-12-13
Last modified:2024-12-18
Identifier:(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid
QNG
QNG
Name:Lenacapavir
Formula:C39 H32 Cl F10 N7 O5 S2
SMILES:C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n(CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O)=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C(C6(F)F)C7
InChi:InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1
Synonyms:Sunlenca
Definition date:2019-11-25
Last modified:2024-12-18
Release date:2020-07-01
Identifier:N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
YEU
YEU
Name:(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C13 H16 Cl N3 O
SMILES:CC(C)c1cc(Cl)c(C)cc1C1=NNC(=O)N1C
InChi:InChI=1S/C13H16ClN3O/c1-7(2)9-6-11(14)8(3)5-10(9)12-15-16-13(18)17(12)4/h5-7H,1-4H3,(H,16,18)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Y1B
Y1B
Name:3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid
Formula:C25 H25 F4 N5 O3 S
SMILES:O=C(O)c1ccc(SC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1
InChi:InChI=1S/C25H25F4N5O3S/c1-15-30-32-34(31-15)14-18-12-19(25(27,28)29)5-2-16(18)4-7-23(35)33-10-8-20(9-11-33)38-22-6-3-17(24(36)37)13-21(22)26/h2-3,5-6,12-13,20H,4,7-11,14H2,1H3,(H,36,37)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid
Y1F
Y1F
Name:[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
Formula:C30 H36 N6 O4
SMILES:O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
YF0
YF0
Name:(3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:C21 H21 Cl2 N3 O5 S
SMILES:NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C21H21Cl2N3O5S/c22-17-5-13(6-18(23)7-17)12-31-21(28)26-10-15-8-25(9-16(15)11-26)20(27)14-1-3-19(4-2-14)32(24,29)30/h1-7,15-16H,8-12H2,(H2,24,29,30)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Y1K
Y1K
Name:4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one
Formula:C23 H23 Cl F N5 O4
SMILES:O=C1CN(CCN1C)C(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1
InChi:InChI=1S/C23H23ClFN5O4/c1-13-8-19(34-12-20-26-27-23(33)29(20)3)16(10-17(13)24)15-9-14(4-5-18(15)25)22(32)30-7-6-28(2)21(31)11-30/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,27,33)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one
YF9
YF9
Name:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C19 H18 Cl N5 O3 S
SMILES:O=S(=O)(N1Cc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1)C1COC1
InChi:InChI=1S/C19H18ClN5O3S/c20-14-1-11-3-15(4-17(11)12(2-14)5-21)23-19-22-6-13-7-25(8-18(13)24-19)29(26,27)16-9-28-10-16/h1-2,6,15-16H,3-4,7-10H2,(H,22,23,24)/t15-/m1/s1
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2R)-6-chloro-2-{[6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Y1Q
Y1Q
Name:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
Formula:C22 H25 F3 N6 O4 S
SMILES:NS(=O)(=O)c1ccc(cc1)OCCN(C)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C22H25F3N6O4S/c1-15-27-29-31(28-15)14-17-13-18(22(23,24)25)5-3-16(17)4-10-21(32)30(2)11-12-35-19-6-8-20(9-7-19)36(26,33)34/h3,5-9,13H,4,10-12,14H2,1-2H3,(H2,26,33,34)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide
Y1U
Y1U
Name:3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:C21 H19 Cl2 N5 O2
SMILES:Clc1cccc(Cl)c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1
InChi:InChI=1S/C21H19Cl2N5O2/c1-27-19-14(12-28(21(27)30)18-15(22)8-5-9-16(18)23)10-24-20(26-19)25-11-17(29)13-6-3-2-4-7-13/h2-10,17,29H,11-12H2,1H3,(H,24,25,26)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
YFI
YFI
Name:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C17 H16 Cl N5 O2 S
SMILES:Clc1cc2CC(Cc2c(C#N)c1)Nc1ncc2CN(Cc2n1)S(C)(=O)=O
InChi:InChI=1S/C17H16ClN5O2S/c1-26(24,25)23-8-12-7-20-17(22-16(12)9-23)21-14-4-10-2-13(18)3-11(6-19)15(10)5-14/h2-3,7,14H,4-5,8-9H2,1H3,(H,20,21,22)/t14-/m1/s1
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:(2R)-6-chloro-2-{[6-(methanesulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile
YFL
YFL
Name:N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
Formula:C24 H31 N5 O
SMILES:CC(C)c1ccc(cc1)Nc1ccc(cn1)CN(CCCCn1ccnc1)C(C)=O
InChi:InChI=1S/C24H31N5O/c1-19(2)22-7-9-23(10-8-22)27-24-11-6-21(16-26-24)17-29(20(3)30)14-5-4-13-28-15-12-25-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,26,27)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
Y23
Y23
Name:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
Formula:C25 H22 Cl N5 O
SMILES:N#Cc1ccc(cc1)Cn1c2ccc(Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1
InChi:InChI=1S/C25H22ClN5O/c26-19-5-7-23-22(11-19)21-9-10-30(25(32)8-6-20-13-28-16-29-20)15-24(21)31(23)14-18-3-1-17(12-27)2-4-18/h1-5,7,11,13,16H,6,8-10,14-15H2,(H,28,29)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
YFO
YFO
Name:2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
Formula:C16 H18 Cl N O2 S
SMILES:CC(C)(C)c1cc(cc(n1)c1ccc(Cl)cc1)S(C)(=O)=O
InChi:InChI=1S/C16H18ClNO2S/c1-16(2,3)15-10-13(21(4,19)20)9-14(18-15)11-5-7-12(17)8-6-11/h5-10H,1-4H3
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-tert-butyl-6-(4-chlorophenyl)-4-(methanesulfonyl)pyridine
Y29
Y29
Name:2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
Formula:C13 H12 Cl N5 O
SMILES:Clc1ccc(cc1)Nc1ncc2c(n1)N(C)C(=O)N2C
InChi:InChI=1S/C13H12ClN5O/c1-18-10-7-15-12(17-11(10)19(2)13(18)20)16-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)
Definition date:2023-06-09
Last modified:2024-12-13
Release date:2024-12-18
Identifier:2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one
YFT
YFT
Name:[3-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
Formula:C22 H21 F4 N5 O5
SMILES:FC(F)(F)Oc1ccc(cc1F)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C22H21F4N5O5/c23-15-9-13(1-4-18(15)36-22(24,25)26)11-35-20(33)31-7-5-21(34,6-8-31)12-27-19(32)14-2-3-16-17(10-14)29-30-28-16/h1-4,9-10,34H,5-8,11-12H2,(H,27,32)(H,28,29,30)
Definition date:2023-06-13
Last modified:2024-12-13
Release date:2024-12-18
Identifier:[3-fluoro-4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate

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건을2025-10-29부터공개중

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