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A1A8E

A1A8E
Name:	[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C14 H20 N4 O
SMILES:	OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1
Definition date:	2024-09-19
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A8F

A1A8F
Name:	[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C14 H20 N4 O
SMILES:	OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m1/s1
Definition date:	2024-09-19
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1A8W

A1A8W
Name:	(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C12 H16 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)C1CCC1
InChi:	InChI=1S/C12H16N4O/c17-6-10(8-2-1-3-8)16-12-9-4-5-13-11(9)14-7-15-12/h4-5,7-8,10,17H,1-3,6H2,(H2,13,14,15,16)/t10-/m1/s1
Definition date:	2024-09-21
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-2-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1A8Z

A1A8Z
Name:	(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C15 H15 F N4 O
SMILES:	Fc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C15H15FN4O/c16-11-3-1-10(2-4-11)7-12(8-21)20-15-13-5-6-17-14(13)18-9-19-15/h1-6,9,12,21H,7-8H2,(H2,17,18,19,20)/t12-/m1/s1
Definition date:	2024-09-21
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9A

A1A9A
Name:	(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C17 H18 N4 O
SMILES:	OC(C1CCCN1c1ncnc2[NH]ccc12)c1ccccc1
InChi:	InChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1
Definition date:	2024-09-22
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A9E

A1A9E
Name:	[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Formula:	C12 H16 N4 O2
SMILES:	OCC1CC(CN1c1ncnc2[NH]ccc12)OC
InChi:	InChI=1S/C12H16N4O2/c1-18-9-4-8(6-17)16(5-9)12-10-2-3-13-11(10)14-7-15-12/h2-3,7-9,17H,4-6H2,1H3,(H,13,14,15)/t8-,9-/m1/s1
Definition date:	2024-09-23
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

A1A9F

A1A9F
Name:	(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C13 H16 N6 O
SMILES:	Cn1cc(CC(Nc2ncnc3[NH]ccc32)CO)cn1
InChi:	InChI=1S/C13H16N6O/c1-19-6-9(5-17-19)4-10(7-20)18-13-11-2-3-14-12(11)15-8-16-13/h2-3,5-6,8,10,20H,4,7H2,1H3,(H2,14,15,16,18)/t10-/m0/s1
Definition date:	2024-09-23
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Q

A1A9Q
Name:	(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C11 H17 N5 O
SMILES:	CN(C)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C11H17N5O/c1-16(2)5-8(6-17)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9R

A1A9R
Name:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol
Formula:	C12 H13 N5 O S
SMILES:	OCC(Nc1ncnc2[NH]ccc12)Cc1nccs1
InChi:	InChI=1S/C12H13N5OS/c18-6-8(5-10-13-3-4-19-10)17-12-9-1-2-14-11(9)15-7-16-12/h1-4,7-8,18H,5-6H2,(H2,14,15,16,17)/t8-/m0/s1
Definition date:	2024-09-24
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-2-yl)propan-1-ol

A1A9U

A1A9U
Name:	(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1cccc(c1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-3-2-4-12(7-11)8-13(9-21)20-16-14-5-6-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9V

A1A9V
Name:	(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C14 H21 N5 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)CN1CCCCC1
InChi:	InChI=1S/C14H21N5O/c20-9-11(8-19-6-2-1-3-7-19)18-14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11,20H,1-3,6-9H2,(H2,15,16,17,18)/t11-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Y

A1A9Y
Name:	(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1A9Z

A1A9Z
Name:	(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C16 H18 N4 O
SMILES:	Cc1ccc(cc1)CC(CO)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C16H18N4O/c1-11-2-4-12(5-3-11)8-13(9-21)20-16-14-6-7-17-15(14)18-10-19-16/h2-7,10,13,21H,8-9H2,1H3,(H2,17,18,19,20)/t13-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

JDP

JDP
Name:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
Formula:	C24 H23 N5 O2
SMILES:	c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5
InChi:	InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
Synonyms:	CB-5083
Definition date:	2018-09-04
Last modified:	2025-06-04
Release date:	2019-01-23
Identifier:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

A1CAB

A1CAB
Name:	(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Formula:	C5 H7 N O2
SMILES:	O=C(O)C1CCC=N1
InChi:	InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1
Definition date:	2025-04-21
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

A1EKD

A1EKD
Name:	2-[bis[1-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]methyl]benzoic acid
Formula:	C30 H18 F4 N6 O4 S2
SMILES:	Cc1nn(c(O)c1C(c2ccccc2C(O)=O)c3c(C)nn(c3O)c4sc5cc(F)cc(F)c5n4)c6sc7cc(F)cc(F)c7n6
InChi:	InChI=1S/C30H18F4N6O4S2/c1-11-21(26(41)39(37-11)29-35-24-17(33)7-13(31)9-19(24)45-29)23(15-5-3-4-6-16(15)28(43)44)22-12(2)38-40(27(22)42)30-36-25-18(34)8-14(32)10-20(25)46-30/h3-10,23,41-42H,1-2H3,(H,43,44)
Definition date:	2025-01-19
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[bis[1-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]methyl]benzoic acid

A1IVC

A1IVC
Name:	N4-(3-chloranyl-2-piperidin-1-yl-phenyl)-N1,N1-dimethyl-benzene-1,4-disulfonamide
Formula:	C19 H24 Cl N3 O4 S2
SMILES:	CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)c2N3CCCCC3
InChi:	InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3
Definition date:	2024-11-28
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	~{N}4-(3-chloranyl-2-piperidin-1-yl-phenyl)-~{N}1,~{N}1-dimethyl-benzene-1,4-disulfonamide

A1IVD

A1IVD
Name:	N,N-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide
Formula:	C22 H26 F3 N3 O4 S2
SMILES:	CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)N2CC3(CCN(CC3)CC(F)(F)F)c4ccccc24
InChi:	InChI=1S/C22H26F3N3O4S2/c1-26(2)33(29,30)17-7-9-18(10-8-17)34(31,32)28-15-21(19-5-3-4-6-20(19)28)11-13-27(14-12-21)16-22(23,24)25/h3-10H,11-16H2,1-2H3
Definition date:	2024-11-28
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	~{N},~{N}-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2~{H}-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide

A1IVZ

A1IVZ
Name:	2-[2-oxidanylidene-2-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione
Formula:	C22 H22 N2 O3
SMILES:	C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14
InChi:	InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
Definition date:	2024-12-05
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[2-oxidanylidene-2-[(4~{R})-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione

A1IY7

A1IY7
Name:	5-(2~{H}-indazol-3-yl)-2-methyl-phenol
Formula:	C14 H12 N2 O
SMILES:	Cc1ccc(cc1O)c2[nH]nc3ccccc23
InChi:	InChI=1S/C14H12N2O/c1-9-6-7-10(8-13(9)17)14-11-4-2-3-5-12(11)15-16-14/h2-8,17H,1H3,(H,15,16)
Definition date:	2025-01-22
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	5-(2~{H}-indazol-3-yl)-2-methyl-phenol

A1ICE

A1ICE
Name:	4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid
Formula:	C16 H15 N O4
SMILES:	COc1ccccc1CON=Cc2ccc(cc2)C(O)=O
InChi:	InChI=1S/C16H15NO4/c1-20-15-5-3-2-4-14(15)11-21-17-10-12-6-8-13(9-7-12)16(18)19/h2-10H,11H2,1H3,(H,18,19)/b17-10-
Definition date:	2024-05-23
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	4-[(~{Z})-(2-methoxyphenyl)methoxyiminomethyl]benzoic acid

A1ICF

A1ICF
Name:	2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid
Formula:	C15 H12 Cl N O3
SMILES:	OC(=O)c1ccccc1C=NOCc2ccccc2Cl
InChi:	InChI=1S/C15H12ClNO3/c16-14-8-4-2-6-12(14)10-20-17-9-11-5-1-3-7-13(11)15(18)19/h1-9H,10H2,(H,18,19)/b17-9+
Synonyms:	(E)-2-((((2-chlorobenzyl)oxy)imino)methyl)benzoic acid
Definition date:	2024-05-23
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid

A1BCA

A1BCA
Name:	(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
Formula:	C13 H15 N3 O2
SMILES:	O=C1NC(=O)NC21CCN(C2)Cc1ccccc1
InChi:	InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1
Definition date:	2024-10-03
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

A1BCB

A1BCB
Name:	ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
Formula:	C13 H15 N O4
SMILES:	O=C(OCC)C(C)N1c2ccccc2OCC1=O
InChi:	InChI=1S/C13H15NO4/c1-3-17-13(16)9(2)14-10-6-4-5-7-11(10)18-8-12(14)15/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
Definition date:	2024-10-03
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate

A1BDE

A1BDE
Name:	N~6~-L-seryl-L-lysine
Formula:	C9 H19 N3 O4
SMILES:	O=C(NCCCCC(N)C(=O)O)C(N)CO
InChi:	InChI=1S/C9H19N3O4/c10-6(9(15)16)3-1-2-4-12-8(14)7(11)5-13/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)/t6-,7-/m0/s1
Definition date:	2024-10-15
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	N~6~-L-seryl-L-lysine

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