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A1BGQ
A1BGQ
Name:N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide
Formula:C22 H27 N3 O2
SMILES:O=C(C(Cc1ccc(CN)cc1)NC(=O)c1ccccc1)N1CCCCC1
InChi:InChI=1S/C22H27N3O2/c23-16-18-11-9-17(10-12-18)15-20(22(27)25-13-5-2-6-14-25)24-21(26)19-7-3-1-4-8-19/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)/t20-/m0/s1
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide
A1BGR
A1BGR
Name:N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
Formula:C16 H18 Cl N3 O5
SMILES:O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1
InChi:InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
A1BGU
A1BGU
Name:N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
Formula:C15 H18 N6 O
SMILES:O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:InChI=1S/C15H18N6O/c1-9(2)17-15-19-12-5-4-10(6-13(12)20-15)14(22)18-11-7-16-21(3)8-11/h4-9H,1-3H3,(H,18,22)(H2,17,19,20)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
A1BGV
A1BGV
Name:N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
Formula:C16 H18 N6 O2
SMILES:NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:InChI=1S/C16H18N6O2/c1-8(2)19-16-21-11-4-3-9(5-12(11)22-16)15(24)20-10-6-13(14(17)23)18-7-10/h3-8,18H,1-2H3,(H2,17,23)(H,20,24)(H2,19,21,22)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
A1BGY
A1BGY
Name:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
Formula:C16 H19 N3 O
SMILES:O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C
InChi:InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
A1BGZ
A1BGZ
Name:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
Formula:C18 H18 N4 O2
SMILES:O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1
InChi:InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
A1BHA
A1BHA
Name:4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine
Formula:C14 H18 N6 O2
SMILES:COc1nc(nc(COc2cncnc2)c1)N1CCNCC1
InChi:InChI=1S/C14H18N6O2/c1-21-13-6-11(9-22-12-7-16-10-17-8-12)18-14(19-13)20-4-2-15-3-5-20/h6-8,10,15H,2-5,9H2,1H3
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine
A1BHC
A1BHC
Name:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
Formula:C21 H28 Cl N3 O3
SMILES:Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO
InChi:InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
A1BIV
A1BIV
Name:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Formula:C22 H17 Cl N4 O3
SMILES:Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O
InChi:InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1
Definition date:2024-12-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
A1BLQ
A1BLQ
Name:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
Formula:C21 H25 F3 N4 O
SMILES:CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCCCc23)C1
InChi:InChI=1S/C21H25F3N4O/c1-28-10-4-5-14(12-28)25-20-16-7-3-2-6-15(16)19(26-27-20)17-9-8-13(11-18(17)29)21(22,23)24/h8-9,11,14,29H,2-7,10,12H2,1H3,(H,25,27)/t14-/m1/s1
Definition date:2024-12-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
A1BLR
A1BLR
Name:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
Formula:C17 H19 F3 N4 O
SMILES:CN1CCCC(Nc2ccc(nn2)c2ccc(cc2O)C(F)(F)F)C1
InChi:InChI=1S/C17H19F3N4O/c1-24-8-2-3-12(10-24)21-16-7-6-14(22-23-16)13-5-4-11(9-15(13)25)17(18,19)20/h4-7,9,12,25H,2-3,8,10H2,1H3,(H,21,23)/t12-/m1/s1
Definition date:2024-12-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
A1BLV
A1BLV
Name:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C25 H26 N6
SMILES:N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1
InChi:InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1
Definition date:2024-12-17
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
A1BN7
A1BN7
Name:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
Formula:C11 H12 Cl F2 N3 O2 S
SMILES:FC(F)(c1cnsc1Cl)C(=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C11H12ClF2N3O2S/c12-8-7(4-16-20-8)11(13,14)10(19)17-3-1-2-6(5-17)9(15)18/h4,6H,1-3,5H2,(H2,15,18)/t6-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
A1BNZ
A1BNZ
Name:(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide
Formula:C21 H23 F N2 O2
SMILES:O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide
A1BO8
A1BO8
Name:(3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide
Formula:C14 H24 N2 O4
SMILES:O=C(N1CCCC(C1)C(N)=O)C1(COC)CCCCO1
InChi:InChI=1S/C14H24N2O4/c1-19-10-14(6-2-3-8-20-14)13(18)16-7-4-5-11(9-16)12(15)17/h11H,2-10H2,1H3,(H2,15,17)/t11-,14-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2S)-2-(methoxymethyl)oxane-2-carbonyl]piperidine-3-carboxamide
A1BOB
A1BOB
Name:(3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide
Formula:C14 H19 N3 O2
SMILES:O=C(Cc1ccncc1C)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H19N3O2/c1-10-8-16-5-4-11(10)7-13(18)17-6-2-3-12(9-17)14(15)19/h4-5,8,12H,2-3,6-7,9H2,1H3,(H2,15,19)/t12-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(3-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide
A1BOE
A1BOE
Name:(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C14 H18 N2 O3
SMILES:NC(=O)C1CCC(=O)N(Cc2ccccc2OC)C1
InChi:InChI=1S/C14H18N2O3/c1-19-12-5-3-2-4-10(12)8-16-9-11(14(15)18)6-7-13(16)17/h2-5,11H,6-9H2,1H3,(H2,15,18)/t11-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
A1BOF
A1BOF
Name:(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide
Formula:C17 H20 N4 O2
SMILES:O=C(C(c1ccccc1)n1cccn1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide
A1BOQ
A1BOQ
Name:(3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
Formula:C16 H19 N3 O3
SMILES:O=C(Cc1cccc(C#N)c1OC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C16H19N3O3/c1-22-15-11(4-2-5-12(15)9-17)8-14(20)19-7-3-6-13(10-19)16(18)21/h2,4-5,13H,3,6-8,10H2,1H3,(H2,18,21)/t13-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(3-cyano-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
A1BOR
A1BOR
Name:(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C14 H16 N2 O4
SMILES:NC(=O)C1CCC(=O)N(C1)Cc1cccc2OCOc12
InChi:InChI=1S/C14H16N2O4/c15-14(18)10-4-5-12(17)16(7-10)6-9-2-1-3-11-13(9)20-8-19-11/h1-3,10H,4-8H2,(H2,15,18)/t10-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
A1BOU
A1BOU
Name:(3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide
Formula:C14 H18 Cl N3 O3
SMILES:O=C(Nc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(15)12(11)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-N~1~-(2-chloro-6-methoxyphenyl)piperidine-1,3-dicarboxamide
A1BOV
A1BOV
Name:(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide
Formula:C14 H18 Cl N3 O3
SMILES:O=C(Nc1cccc(OC)c1Cl)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(12(11)15)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide
A1BOY
A1BOY
Name:(3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
Formula:C14 H19 N3 O3
SMILES:O=C(Cc1cccnc1OC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H19N3O3/c1-20-14-10(4-2-6-16-14)8-12(18)17-7-3-5-11(9-17)13(15)19/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,19)/t11-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
A1BOZ
A1BOZ
Name:(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide
Formula:C15 H20 N2 O2
SMILES:O=C(Cc1cccc(C)c1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H20N2O2/c1-11-4-2-5-12(8-11)9-14(18)17-7-3-6-13(10-17)15(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)/t13-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide
A1BPA
A1BPA
Name:1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide
Formula:C15 H16 N4 O2
SMILES:Cc1nn(C)c2cc(ccc12)C(=O)NCCc1cocn1
InChi:InChI=1S/C15H16N4O2/c1-10-13-4-3-11(7-14(13)19(2)18-10)15(20)16-6-5-12-8-21-9-17-12/h3-4,7-9H,5-6H2,1-2H3,(H,16,20)
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide

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数据于2025-10-15公开中

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