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A1LUZ

A1LUZ
Name:	2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid
Formula:	C5 H3 N O4 S
SMILES:	OC(=O)C=C1SC(=O)NC1=O
InChi:	InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10)
Definition date:	2023-12-13
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid

A1BAA

A1BAA
Name:	2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
Formula:	C12 H18 N4 O
SMILES:	CCC(CC)(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C12H18N4O/c1-3-12(4-2,7-17)16-11-9-5-6-13-10(9)14-8-15-11/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16)
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

A1BAB

A1BAB
Name:	(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C17 H18 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21
InChi:	InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1BAE

A1BAE
Name:	(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C14 H15 N5 O
SMILES:	OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1BAQ

A1BAQ
Name:	[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CC(C)CCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-9-3-5-17(10(6-9)7-18)13-11-2-4-14-12(11)15-8-16-13/h2,4,8-10,18H,3,5-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1BAR

A1BAR
Name:	[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CCC(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-9-2-3-10(7-18)17(6-9)13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1BAU

A1BAU
Name:	(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
Formula:	C14 H20 N4 O2
SMILES:	OC1CCC(O)(CC1)CNc1ncnc2[NH]cc(C)c21
InChi:	InChI=1S/C14H20N4O2/c1-9-6-15-12-11(9)13(18-8-17-12)16-7-14(20)4-2-10(19)3-5-14/h6,8,10,19-20H,2-5,7H2,1H3,(H2,15,16,17,18)/t10-,14-
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol

A1BAV

A1BAV
Name:	4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
Formula:	C13 H18 N4 O2
SMILES:	OC1(CNc2ncnc3[NH]cc(C)c32)CCOCC1
InChi:	InChI=1S/C13H18N4O2/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)2-4-19-5-3-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol

A1A5A

A1A5A
Name:	(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C15 H16 N4 O
SMILES:	OCC(Cc1ccccc1)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m1/s1
Definition date:	2024-09-09
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A5B

A1A5B
Name:	3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid
Formula:	C13 H9 N O5 S
SMILES:	O=C(Nc1ccsc1C(=O)O)c1ccc2OCOc2c1
InChi:	InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17)
Definition date:	2024-09-09
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid

A1A5E

A1A5E
Name:	(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid
Formula:	C14 H16 N2 O4
SMILES:	O=C(O)C(C)CNC(=O)c1ccc2NC(=O)CCc2c1
InChi:	InChI=1S/C14H16N2O4/c1-8(14(19)20)7-15-13(18)10-2-4-11-9(6-10)3-5-12(17)16-11/h2,4,6,8H,3,5,7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t8-/m0/s1
Definition date:	2024-09-09
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid

A1A5F

A1A5F
Name:	(2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide
Formula:	C17 H20 N4 O2
SMILES:	Cc1ccc2OC(CCc2c1)C(=O)Nc1nnc2CCCCn21
InChi:	InChI=1S/C17H20N4O2/c1-11-5-7-13-12(10-11)6-8-14(23-13)16(22)18-17-20-19-15-4-2-3-9-21(15)17/h5,7,10,14H,2-4,6,8-9H2,1H3,(H,18,20,22)/t14-/m0/s1
Definition date:	2024-09-09
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide

A1A5X

A1A5X
Name:	4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid
Formula:	C14 H13 F N4 O2 S2
SMILES:	CC(C)n1nnnc1SCc1c2c(F)cccc2sc1C(=O)O
InChi:	InChI=1S/C14H13FN4O2S2/c1-7(2)19-14(16-17-18-19)22-6-8-11-9(15)4-3-5-10(11)23-12(8)13(20)21/h3-5,7H,6H2,1-2H3,(H,20,21)
Definition date:	2024-09-10
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid

A1A5Y

A1A5Y
Name:	(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid
Formula:	C20 H23 F N2 O4
SMILES:	O=C1CCc2cc(c(F)cc2N1)C(=O)N1CC(CCC21CCCC2)C(=O)O
InChi:	InChI=1S/C20H23FN2O4/c21-15-10-16-12(3-4-17(24)22-16)9-14(15)18(25)23-11-13(19(26)27)5-8-20(23)6-1-2-7-20/h9-10,13H,1-8,11H2,(H,22,24)(H,26,27)/t13-/m1/s1
Definition date:	2024-09-10
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid

A1A6P

A1A6P
Name:	(3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
Formula:	C11 H14 N4 O2
SMILES:	OCC1CC(O)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C11H14N4O2/c16-5-7-3-8(17)4-15(7)11-9-1-2-12-10(9)13-6-14-11/h1-2,6-8,16-17H,3-5H2,(H,12,13,14)/t7-,8-/m1/s1
Definition date:	2024-09-13
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

A1A6Q

A1A6Q
Name:	(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol
Formula:	C10 H12 N4 O2
SMILES:	OC1COCC1Nc1ncnc2[NH]ccc12
InChi:	InChI=1S/C10H12N4O2/c15-8-4-16-3-7(8)14-10-6-1-2-11-9(6)12-5-13-10/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13,14)/t7-,8-/m0/s1
Definition date:	2024-09-13
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol

A1A6U

A1A6U
Name:	(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol
Formula:	C12 H16 N4 O2
SMILES:	OCC(O)C1CCCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C12H16N4O2/c17-6-10(18)9-2-1-5-16(9)12-8-3-4-13-11(8)14-7-15-12/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,13,14,15)/t9-,10+/m1/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol

A1A6V

A1A6V
Name:	1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol
Formula:	C12 H16 N4 O
SMILES:	OC1(CCC1)CNc1ncnc2[NH]cc(C)c21
InChi:	InChI=1S/C12H16N4O/c1-8-5-13-10-9(8)11(16-7-15-10)14-6-12(17)3-2-4-12/h5,7,17H,2-4,6H2,1H3,(H2,13,14,15,16)
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol

A1A6Y

A1A6Y
Name:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol
Formula:	C12 H13 N5 O S
SMILES:	OCC(Nc1ncnc2[NH]ccc12)Cc1cncs1
InChi:	InChI=1S/C12H13N5OS/c18-5-8(3-9-4-13-7-19-9)17-12-10-1-2-14-11(10)15-6-16-12/h1-2,4,6-8,18H,3,5H2,(H2,14,15,16,17)/t8-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol

A1A6Z

A1A6Z
Name:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-13(2)5-9(6-18)17(7-13)12-10-3-4-14-11(10)15-8-16-12/h3-4,8-9,18H,5-7H2,1-2H3,(H,14,15,16)/t9-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A76

A1A76
Name:	[(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol
Formula:	C14 H18 N4 O
SMILES:	OCC1CC2CCCC2N1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H18N4O/c19-7-10-6-9-2-1-3-12(9)18(10)14-11-4-5-15-13(11)16-8-17-14/h4-5,8-10,12,19H,1-3,6-7H2,(H,15,16,17)/t9-,10-,12-/m0/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol

A1A77

A1A77
Name:	[(2R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]methanol
Formula:	C12 H17 N5 O
SMILES:	CN1CC(CO)N(CC1)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C12H17N5O/c1-16-4-5-17(9(6-16)7-18)12-10-2-3-13-11(10)14-8-15-12/h2-3,8-9,18H,4-7H2,1H3,(H,13,14,15)/t9-/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]methanol

A1A78

A1A78
Name:	[(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C16 H24 N4 O
SMILES:	CC(C)(C)C1CC(CO)N(CC1)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H24N4O/c1-16(2,3)11-5-7-20(12(8-11)9-21)15-13-4-6-17-14(13)18-10-19-15/h4,6,10-12,21H,5,7-9H2,1-3H3,(H,17,18,19)/t11-,12+/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A7Z

A1A7Z
Name:	(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C14 H14 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)c1ccccc1
InChi:	InChI=1S/C14H14N4O/c19-8-12(10-4-2-1-3-5-10)18-14-11-6-7-15-13(11)16-9-17-14/h1-7,9,12,19H,8H2,(H2,15,16,17,18)/t12-/m1/s1
Definition date:	2024-09-18
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1A88

A1A88
Name:	(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C17 H17 N5 O
SMILES:	OCC(Cc1c[NH]c2ccccc21)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C17H17N5O/c23-9-12(7-11-8-19-15-4-2-1-3-13(11)15)22-17-14-5-6-18-16(14)20-10-21-17/h1-6,8,10,12,19,23H,7,9H2,(H2,18,20,21,22)/t12-/m0/s1
Definition date:	2024-09-22
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

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