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A1B4R
A1B4R
Name:(3S)-1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide
Formula:C16 H20 N2 O2 S
SMILES:NC(=O)C1CCCN(C1)C(=O)C1CCSc2ccccc21
InChi:InChI=1S/C16H20N2O2S/c17-15(19)11-4-3-8-18(10-11)16(20)13-7-9-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,13H,3-4,7-10H2,(H2,17,19)/t11-,13-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide
A1B4U
A1B4U
Name:(3S)-N~1~-[2-(cyclopropylsulfanyl)phenyl]piperidine-1,3-dicarboxamide
Formula:C16 H21 N3 O2 S
SMILES:O=C(Nc1ccccc1SC1CC1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C16H21N3O2S/c17-15(20)11-4-3-9-19(10-11)16(21)18-13-5-1-2-6-14(13)22-12-7-8-12/h1-2,5-6,11-12H,3-4,7-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-N~1~-[2-(cyclopropylsulfanyl)phenyl]piperidine-1,3-dicarboxamide
A1B4V
A1B4V
Name:(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide
Formula:C17 H22 N2 O4
SMILES:O=C(Cc1ccccc1OC)N1CC2(CC1(C2)COC)C(N)=O
InChi:InChI=1S/C17H22N2O4/c1-22-11-17-8-16(9-17,15(18)21)10-19(17)14(20)7-12-5-3-4-6-13(12)23-2/h3-6H,7-11H2,1-2H3,(H2,18,21)/t16-,17-
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide
A1B4Y
A1B4Y
Name:(3S)-N~1~-[6-(methylsulfanyl)quinolin-5-yl]piperidine-1,3-dicarboxamide
Formula:C17 H20 N4 O2 S
SMILES:O=C(Nc1c2cccnc2ccc1SC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C17H20N4O2S/c1-24-14-7-6-13-12(5-2-8-19-13)15(14)20-17(23)21-9-3-4-11(10-21)16(18)22/h2,5-8,11H,3-4,9-10H2,1H3,(H2,18,22)(H,20,23)/t11-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-N~1~-[6-(methylsulfanyl)quinolin-5-yl]piperidine-1,3-dicarboxamide
A1B4Z
A1B4Z
Name:(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
Formula:C12 H15 Cl N4 O2
SMILES:O=C(Cc1ncncc1Cl)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C12H15ClN4O2/c13-9-5-15-7-16-10(9)4-11(18)17-3-1-2-8(6-17)12(14)19/h5,7-8H,1-4,6H2,(H2,14,19)/t8-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
A1B5A
A1B5A
Name:(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide
Formula:C13 H18 N4 O2 S
SMILES:O=C(Cc1cncnc1SC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C13H18N4O2S/c1-20-13-10(6-15-8-16-13)5-11(18)17-4-2-3-9(7-17)12(14)19/h6,8-9H,2-5,7H2,1H3,(H2,14,19)/t9-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide
A1B5B
A1B5B
Name:(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide
Formula:C16 H21 N3 O3 S
SMILES:O=C(Cc1ccccc1SC)N1CC(CC(C1)C(N)=O)C(N)=O
InChi:InChI=1S/C16H21N3O3S/c1-23-13-5-3-2-4-10(13)7-14(20)19-8-11(15(17)21)6-12(9-19)16(18)22/h2-5,11-12H,6-9H2,1H3,(H2,17,21)(H2,18,22)/t11-,12+
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide
A1B5E
A1B5E
Name:(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
Formula:C16 H18 N4 O2
SMILES:NC(=O)C1CC(=O)N(C1)C(c1nccn1C)c1ccccc1
InChi:InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
A1B5F
A1B5F
Name:(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C16 H22 N2 O2 S
SMILES:CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O
InChi:InChI=1S/C16H22N2O2S/c1-11-7-13(16(17)20)10-18(9-11)15(19)8-12-5-3-4-6-14(12)21-2/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)/t11-,13+/m1/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide
A1B5Q
A1B5Q
Name:(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
Formula:C15 H17 N3 O2 S
SMILES:NC(=O)C1CCCN(C1)C(=O)Cc1cccc2ncsc12
InChi:InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
A1B5R
A1B5R
Name:(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
Formula:C12 H15 Cl N4 O2
SMILES:O=C(Cc1ccnc(Cl)n1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C12H15ClN4O2/c13-12-15-4-3-9(16-12)6-10(18)17-5-1-2-8(7-17)11(14)19/h3-4,8H,1-2,5-7H2,(H2,14,19)/t8-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
A1B5U
A1B5U
Name:(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
Formula:C16 H20 N2 O2
SMILES:NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12
InChi:InChI=1S/C16H20N2O2/c17-16(20)12-8-9-15(19)18(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2,(H2,17,20)/t12-,14-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
A1B5V
A1B5V
Name:(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide
Formula:C16 H21 Br N2 O2 S
SMILES:O=C(Cc1cc(Br)ccc1SC)N1CCCC(CC1)C(N)=O
InChi:InChI=1S/C16H21BrN2O2S/c1-22-14-5-4-13(17)9-12(14)10-15(20)19-7-2-3-11(6-8-19)16(18)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,21)/t11-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide
A1B5Y
A1B5Y
Name:(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide
Formula:C16 H20 N2 O2 S
SMILES:O=C(Cc1ccccc1SC)N1CC(CC2CC21)C(N)=O
InChi:InChI=1S/C16H20N2O2S/c1-21-14-5-3-2-4-10(14)8-15(19)18-9-12(16(17)20)6-11-7-13(11)18/h2-5,11-13H,6-9H2,1H3,(H2,17,20)/t11?,12-,13+/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide
A1B5Z
A1B5Z
Name:(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide
Formula:C13 H18 N2 O2 S2
SMILES:CSc1cscc1CC(=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C13H18N2O2S2/c1-18-11-8-19-7-10(11)5-12(16)15-4-2-3-9(6-15)13(14)17/h7-9H,2-6H2,1H3,(H2,14,17)/t9-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide
A1B6A
A1B6A
Name:2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide
Formula:C16 H20 N2 O2 S
SMILES:O=C(Cc1ccccc1SC)N1CC2CC1(CC(N)=O)C2
InChi:InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-12(13)6-15(20)18-10-11-7-16(18,8-11)9-14(17)19/h2-5,11H,6-10H2,1H3,(H2,17,19)/t11-,16+
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide
A1B6B
A1B6B
Name:(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
Formula:C16 H20 N2 O2
SMILES:O=C(Cc1ccccc1C)N1CC2CC(C2)(C1)C(N)=O
InChi:InChI=1S/C16H20N2O2/c1-11-4-2-3-5-13(11)6-14(19)18-9-12-7-16(8-12,10-18)15(17)20/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
A1B6C
A1B6C
Name:(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide
Formula:C17 H23 N3 O3 S
SMILES:NC(=O)C1CCCN(C1)C(=O)N1CCCOc2cccc(SC)c12
InChi:InChI=1S/C17H23N3O3S/c1-24-14-7-2-6-13-15(14)20(9-4-10-23-13)17(22)19-8-3-5-12(11-19)16(18)21/h2,6-7,12H,3-5,8-11H2,1H3,(H2,18,21)/t12-/m0/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide
A1B6D
A1B6D
Name:(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide
Formula:C16 H21 Br N2 O2 S
SMILES:O=C(Cc1cc(Br)ccc1SC)N1CC(CCC1C)C(N)=O
InChi:InChI=1S/C16H21BrN2O2S/c1-10-3-4-11(16(18)21)9-19(10)15(20)8-12-7-13(17)5-6-14(12)22-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,21)/t10-,11+/m1/s1
Definition date:2025-03-24
Last modified:2025-03-28
Release date:2025-04-02
Identifier:(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide
A1A2Q
A1A2Q
Name:N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine
Formula:C15 H19 F3 N6 S
SMILES:NC1CCC(CC1)CNc1nc(Nc2ncc(s2)C(F)(F)F)ccn1
InChi:InChI=1S/C15H19F3N6S/c16-15(17,18)11-8-22-14(25-11)24-12-5-6-20-13(23-12)21-7-9-1-3-10(19)4-2-9/h5-6,8-10H,1-4,7,19H2,(H2,20,21,22,23,24)/t9-,10+
Definition date:2024-08-19
Last modified:2025-03-28
Release date:2025-04-02
Identifier:N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine
A1A2R
A1A2R
Name:2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide
Formula:C18 H19 N7 O S
SMILES:N#CCC(=O)NC12CC(C1)(C2)Nc1nc(Nc2ncc(s2)C2CC2)cnc1
InChi:InChI=1S/C18H19N7OS/c19-4-3-15(26)25-18-8-17(9-18,10-18)24-14-7-20-6-13(22-14)23-16-21-5-12(27-16)11-1-2-11/h5-7,11H,1-3,8-10H2,(H,25,26)(H2,21,22,23,24)/t17-,18+
Definition date:2024-08-19
Last modified:2025-03-28
Release date:2025-04-02
Identifier:2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide
A1A2S
A1A2S
Name:N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
Formula:C23 H27 Cl N6 S
SMILES:Clc1cccc(c1)C1CC(CCC1N)CNc1nc(Nc2ncc(s2)C2CC2)ccn1
InChi:InChI=1S/C23H27ClN6S/c24-17-3-1-2-16(11-17)18-10-14(4-7-19(18)25)12-27-22-26-9-8-21(29-22)30-23-28-13-20(31-23)15-5-6-15/h1-3,8-9,11,13-15,18-19H,4-7,10,12,25H2,(H2,26,27,28,29,30)/t14-,18-,19+/m1/s1
Definition date:2024-08-19
Last modified:2025-03-28
Release date:2025-04-02
Identifier:N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
A1A2T
A1A2T
Name:3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide
Formula:C20 H22 N8 O S
SMILES:N#CC1(CNC1)C(=O)NC12CC(C1)(C2)Nc1nc(Nc2ncc(s2)C2CC2)cnc1
InChi:InChI=1S/C20H22N8OS/c21-9-18(10-23-11-18)16(29)28-20-6-19(7-20,8-20)27-15-5-22-4-14(25-15)26-17-24-3-13(30-17)12-1-2-12/h3-5,12,23H,1-2,6-8,10-11H2,(H,28,29)(H2,24,25,26,27)/t19-,20+
Definition date:2024-08-19
Last modified:2025-03-28
Release date:2025-04-02
Identifier:3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide
A1BMD
A1BMD
Name:2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Formula:C23 H27 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C(=O)N1C1CC2(C1)COC2
InChi:InChI=1S/C23H27F3N4O2/c1-13-16(4-3-5-18(13)23(24,25)26)14(2)28-21-29-19-6-7-27-10-17(19)20(31)30(21)15-8-22(9-15)11-32-12-22/h3-5,14-15,27H,6-12H2,1-2H3,(H,28,29)/t14-/m1/s1
Definition date:2024-12-18
Last modified:2025-03-28
Release date:2025-04-02
Identifier:2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
A1BME
A1BME
Name:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one
Formula:C26 H29 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C2=CC(=O)N(C=C12)C1CCOCC1
InChi:InChI=1S/C26H29F3N4O2/c1-15-18(4-3-5-22(15)26(27,28)29)16(2)31-25-21-14-33(17-7-10-35-11-8-17)24(34)12-19(21)20-13-30-9-6-23(20)32-25/h3-5,12,14,16-17,30H,6-11,13H2,1-2H3,(H,31,32)/t16-/m1/s1
Definition date:2024-12-19
Last modified:2025-03-28
Release date:2025-04-02
Identifier:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one

237992

數據於2025-06-25公開中

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