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A1JFD
A1JFD
Name:2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid
Formula:C4 H8 O10 V2
SMILES:OC(=O)C[CH]1[O+]2[V](O)(O)O[V]2(O)(O)OC1=O
InChi:InChI=1S/C4H5O5.4H2O.O.2V/c5-2(4(8)9)1-3(6)7
Synonyms:dioxovanadium(V) complex of malic acid
Definition date:2025-06-04
Last modified:2025-08-08
Release date:2025-08-13
Identifier:2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,7-dioxa-5-oxonia-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid
A1JHO
A1JHO
Name:6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid
Formula:C23 H19 F6 N O2
SMILES:OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C23H19F6NO2/c24-22(25,26)14-6-13(7-15(9-14)23(27,28)29)20-19-11-2-1-10(5-11)18(19)16-4-3-12(21(31)32)8-17(16)30-20/h3-4,6-11,18-20,30H,1-2,5H2,(H,31,32)/t10-,11+,18-,19-,20+/m0/s1
Definition date:2025-06-18
Last modified:2025-08-08
Release date:2025-08-13
A1JHR
A1JHR
Name:Gly-Ser-epsilon-Lys
Formula:C11 H22 N4 O5
SMILES:NCC(=O)N[CH](CO)C(=O)NCCCC[CH](N)C(O)=O
InChi:InChI=1S/C11H22N4O5/c12-5-9(17)15-8(6-16)10(18)14-4-2-1-3-7(13)11(19)20/h7-8,16H,1-6,12-13H2,(H,14,18)(H,15,17)(H,19,20)/t7-,8-/m0/s1
Synonyms:(2S)-2-azanyl-6-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid
Definition date:2025-06-19
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(2~{S})-2-azanyl-6-[[(2~{S})-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid
A1JLP
A1JLP
Name:1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone
Formula:C11 H13 N O S
SMILES:CC(=O)N1CCSc2ccccc2C1
InChi:InChI=1S/C11H13NOS/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3
Definition date:2025-07-29
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone
7WW
7WW
Name:[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone
Formula:C21 H20 Cl N3 O3
SMILES:COc1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(=O)N4CC[CH](O)C4
InChi:InChI=1S/C21H20ClN3O3/c1-28-16-8-6-14(7-9-16)25-20(17-4-2-3-5-18(17)22)12-19(23-25)21(27)24-11-10-15(26)13-24/h2-9,12,15,26H,10-11,13H2,1H3/t15-/m1/s1
Definition date:2023-07-13
Last modified:2025-08-08
Release date:2025-08-13
Identifier:[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone
8D5
8D5
Name:[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[4-[2-[3-(trifluoromethyloxy)phenyl]-1,3-oxazol-5-yl]phenyl]methanone
Formula:C21 H17 F3 N2 O4
SMILES:O[CH]1CCN(C1)C(=O)c2ccc(cc2)c3oc(nc3)c4cccc(OC(F)(F)F)c4
InChi:InChI=1S/C21H17F3N2O4/c22-21(23,24)30-17-3-1-2-15(10-17)19-25-11-18(29-19)13-4-6-14(7-5-13)20(28)26-9-8-16(27)12-26/h1-7,10-11,16,27H,8-9,12H2/t16-/m1/s1
Definition date:2023-07-10
Last modified:2025-08-08
Release date:2025-08-13
Identifier:[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[4-[2-[3-(trifluoromethyloxy)phenyl]-1,3-oxazol-5-yl]phenyl]methanone
8KE
8KE
Name:[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3S)-3-oxidanylpyrrolidin-1-yl]methanone
Formula:C19 H20 N6 O3
SMILES:COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[CH](O)C4)cc1
InChi:InChI=1S/C19H20N6O3/c1-28-16-4-2-14(3-5-16)23-17-8-18(21-12-20-17)25-10-13(9-22-25)19(27)24-7-6-15(26)11-24/h2-5,8-10,12,15,26H,6-7,11H2,1H3,(H,20,21,23)/t15-/m0/s1
Definition date:2023-07-14
Last modified:2025-08-08
Release date:2025-08-13
Identifier:[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3~{S})-3-oxidanylpyrrolidin-1-yl]methanone
I3F
I3F
Name:[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone
Formula:C19 H20 N6 O3
SMILES:COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[CH](O)C4)cc1
InChi:InChI=1S/C19H20N6O3/c1-28-16-4-2-14(3-5-16)23-17-8-18(21-12-20-17)25-10-13(9-22-25)19(27)24-7-6-15(26)11-24/h2-5,8-10,12,15,26H,6-7,11H2,1H3,(H,20,21,23)/t15-/m1/s1
Definition date:2023-07-26
Last modified:2025-08-08
Release date:2025-08-13
Identifier:[1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone
A1B77
A1B77
Name:7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Formula:C21 H22 F N5 O
SMILES:CN(C)Cc1cc2c(cc1F)c1C=NN(Cc3cccc(C)n3)C(=O)c1n2C
InChi:InChI=1S/C21H22FN5O/c1-13-6-5-7-15(24-13)12-27-21(28)20-17(10-23-27)16-9-18(22)14(11-25(2)3)8-19(16)26(20)4/h5-10H,11-12H2,1-4H3
Definition date:2025-04-08
Last modified:2025-08-08
Release date:2025-08-13
Identifier:7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
A1A2E
A1A2E
Name:4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile
Formula:C25 H24 N4 O2
SMILES:O=C1CCC(N1)c1ccc(cc1)c1cc(CN2CCOCC2)c2ccc(C#N)cc2n1
InChi:InChI=1S/C25H24N4O2/c26-15-17-1-6-21-20(16-29-9-11-31-12-10-29)14-23(27-24(21)13-17)19-4-2-18(3-5-19)22-7-8-25(30)28-22/h1-6,13-14,22H,7-12,16H2,(H,28,30)/t22-/m1/s1
Definition date:2024-08-16
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile
A1BI1
A1BI1
Name:{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone
Formula:C26 H26 N6 O2
SMILES:O=C(C1CC1)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C26H26N6O2/c27-24-22-23(17-10-12-21(13-11-17)34-20-6-2-1-3-7-20)30-32(25(22)29-16-28-24)19-5-4-14-31(15-19)26(33)18-8-9-18/h1-3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,(H2,27,28,29)/t19-/m1/s1
Definition date:2024-12-02
Last modified:2025-08-08
Release date:2025-08-13
Identifier:{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone
A1BIR
A1BIR
Name:(3aS,12bR)-asenapine
Formula:C17 H16 Cl N O
SMILES:Clc1cc2C3CN(C)CC3c3ccccc3Oc2cc1
InChi:InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1
Synonyms:(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Definition date:2024-12-01
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
A1BIZ
A1BIZ
Name:4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide
Formula:C27 H25 F3 N8 O3
SMILES:FC(F)(F)Oc1cc(ncc1)NC(=O)c1ccc(cc1)c1nn(c2ncnc(N)c21)C1CCCN(C1)C(=O)C1CC1
InChi:InChI=1S/C27H25F3N8O3/c28-27(29,30)41-19-9-10-32-20(12-19)35-25(39)16-5-3-15(4-6-16)22-21-23(31)33-14-34-24(21)38(36-22)18-2-1-11-37(13-18)26(40)17-7-8-17/h3-6,9-10,12,14,17-18H,1-2,7-8,11,13H2,(H2,31,33,34)(H,32,35,39)/t18-/m1/s1
Definition date:2024-12-02
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide
A1BJE
A1BJE
Name:3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C17 H13 N5 O
SMILES:Nc1ncnc2[NH]nc(c12)c1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
Definition date:2024-12-06
Last modified:2025-08-08
Release date:2025-08-13
Identifier:3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
A1BKS
A1BKS
Name:VU6007678
Formula:C25 H29 F N4 O3 S
SMILES:Fc1cccc2c1CCC2N(CCC)C(=O)C1CCN(CC1)S(=O)(=O)c1cc2cn[NH]c2cc1
InChi:InChI=1S/C25H29FN4O3S/c1-2-12-30(24-9-7-20-21(24)4-3-5-22(20)26)25(31)17-10-13-29(14-11-17)34(32,33)19-6-8-23-18(15-19)16-27-28-23/h3-6,8,15-17,24H,2,7,9-14H2,1H3,(H,27,28)/t24-/m1/s1
Definition date:2024-12-09
Last modified:2025-08-08
Release date:2025-08-13
Identifier:N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-(1H-indazole-5-sulfonyl)-N-propylpiperidine-4-carboxamide
A1BMQ
A1BMQ
Name:1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
Formula:C9 H8 F N3 O
SMILES:NCc1nc(on1)c1ccccc1F
InChi:InChI=1S/C9H8FN3O/c10-7-4-2-1-3-6(7)9-12-8(5-11)13-14-9/h1-4H,5,11H2
Definition date:2024-12-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
A1BMR
A1BMR
Name:(2S,3R)-1-benzyl-2-methylpiperidin-3-ol
Formula:C13 H19 N O
SMILES:CC1C(O)CCCN1Cc1ccccc1
InChi:InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3
Definition date:2024-12-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:(2S,3R)-1-benzyl-2-methylpiperidin-3-ol
A1BMS
A1BMS
Name:2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
Formula:C8 H15 N O4 S
SMILES:O=S1(=O)CCC(C)(NC(=O)COC)C1
InChi:InChI=1S/C8H15NO4S/c1-8(9-7(10)5-13-2)3-4-14(11,12)6-8/h3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
Definition date:2024-12-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
A1BMV
A1BMV
Name:[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
Formula:C11 H15 N3 O
SMILES:CC1CCCCN1C(=O)c1cnccn1
InChi:InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
Definition date:2024-12-23
Last modified:2025-08-08
Release date:2025-08-13
Identifier:[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
A1BNE
A1BNE
Name:1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
Formula:C10 H13 N O2
SMILES:CNCC1COc2ccccc2O1
InChi:InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
Definition date:2025-01-02
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
A1BUA
A1BUA
Name:N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
Formula:C14 H20 N2 O2
SMILES:Cc1onc(C)c1C(=O)NCCC1=CCCCC1
InChi:InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)
Definition date:2025-01-22
Last modified:2025-08-08
Release date:2025-08-13
Identifier:N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
A1BW7
A1BW7
Name:4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
Formula:C27 H26 N6 O
SMILES:Cc1nccn1Cc1cc2c(CCc3c2nnn3Cc2ccc(C#N)c(OC)c2)c(c1)C1CC1
InChi:InChI=1S/C27H26N6O/c1-17-29-9-10-32(17)15-19-11-23(20-5-6-20)22-7-8-25-27(24(22)12-19)30-31-33(25)16-18-3-4-21(14-28)26(13-18)34-2/h3-4,9-13,20H,5-8,15-16H2,1-2H3
Definition date:2025-02-18
Last modified:2025-08-08
Release date:2025-08-13
Identifier:4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
A1BW9
A1BW9
Name:1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
Formula:C31 H31 F N6 O2
SMILES:Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1CCc1c2nnn1Cc1cc(OC)cc(OC)c1
InChi:InChI=1S/C31H31FN6O2/c1-19-11-22(32)5-6-25(19)27-14-21(17-37-10-9-36(2)31(37)33)15-28-26(27)7-8-29-30(28)34-35-38(29)18-20-12-23(39-3)16-24(13-20)40-4/h5-6,9-16,33H,7-8,17-18H2,1-4H3/b33-31+
Definition date:2025-02-18
Last modified:2025-08-08
Release date:2025-08-13
Identifier:1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
A1BWA
A1BWA
Name:N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
Formula:C24 H19 F2 N5 O2 S
SMILES:CSc1nc(c2cc(NC(=O)c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)=O)c1
InChi:InChI=1S/C24H19F2N5O2S/c1-13(32)28-19-12-15(9-10-27-19)22-21(30-24(31-22)34-2)14-5-3-6-16(11-14)29-23(33)20-17(25)7-4-8-18(20)26/h3-12H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)
Definition date:2025-02-06
Last modified:2025-08-08
Release date:2025-08-13
Identifier:N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
A1BXB
A1BXB
Name:Pritelivir
Formula:C18 H18 N4 O3 S2
SMILES:Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1
InChi:InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
Synonyms:N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
Definition date:2025-02-19
Last modified:2025-08-08
Release date:2025-08-13
Identifier:N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide

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건을2025-10-29부터공개중

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