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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

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

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

A1EQI

A1EQI
Name:	2-chloranyl-4-[[(3R)-1-[(3S)-7-(ethylamino)-5-fluoranyl-3-methyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]amino]benzoic acid
Formula:	C23 H26 Cl F N4 O3
SMILES:	CCNc1cc(F)cc2c1NC(=O)[C]2(C)N3CCC[CH](C3)Nc4ccc(C(O)=O)c(Cl)c4
InChi:	InChI=1S/C23H26ClFN4O3/c1-3-26-19-10-13(25)9-17-20(19)28-22(32)23(17,2)29-8-4-5-15(12-29)27-14-6-7-16(21(30)31)18(24)11-14/h6-7,9-11,15,26-27H,3-5,8,12H2,1-2H3,(H,28,32)(H,30,31)/t15-,23+/m1/s1
Definition date:	2025-05-15
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-chloranyl-4-[[(3~{R})-1-[(3~{S})-7-(ethylamino)-5-fluoranyl-3-methyl-2-oxidanylidene-1~{H}-indol-3-yl]piperidin-3-yl]amino]benzoic acid

A1EQX

A1EQX
Name:	2-[3,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1H-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid
Formula:	C43 H53 N3 O8
SMILES:	CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3CC=C(C=C3Oc4cc(ccc24)N5[CH]6CC[CH]5COC6)N7[CH]8CC[CH]7COC8
InChi:	InChI=1S/C43H53N3O8/c1-2-3-4-5-17-50-19-20-51-18-16-44-42(47)28-6-13-35(43(48)49)38(21-28)41-36-14-11-29(45-31-7-8-32(45)25-52-24-31)22-39(36)54-40-23-30(12-15-37(40)41)46-33-9-10-34(46)27-53-26-33/h6,11-14,21-23,31-34H,2-5,7-10,15-20,24-27H2,1H3,(H,44,47)(H,48,49)/t31-,32+,33-,34+
Definition date:	2025-05-27
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-[3,6-bis[(1~{R},5~{S})-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1~{H}-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid

A1CBE

A1CBE
Name:	N-(4-{[(3aS,4R,6S,6aR)-6-(3-chlorophenyl)-2-propanoyloctahydrocyclopenta[c]pyrrol-4-yl]oxy}phenyl)acetamide
Formula:	C24 H27 Cl N2 O3
SMILES:	CC(=O)Nc1ccc(cc1)OC1CC(C2CN(CC21)C(=O)CC)c1cccc(Cl)c1
InChi:	InChI=1S/C24H27ClN2O3/c1-3-24(29)27-13-21-20(16-5-4-6-17(25)11-16)12-23(22(21)14-27)30-19-9-7-18(8-10-19)26-15(2)28/h4-11,20-23H,3,12-14H2,1-2H3,(H,26,28)/t20-,21-,22-,23-/m1/s1
Definition date:	2025-05-06
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	N-(4-{[(3aS,4R,6S,6aR)-6-(3-chlorophenyl)-2-propanoyloctahydrocyclopenta[c]pyrrol-4-yl]oxy}phenyl)acetamide

A1D8R

A1D8R
Name:	(2~{S})-2,4-bis(azanyl)-3,3-dimethyl-butanoic acid
Formula:	C6 H14 N2 O2
SMILES:	CC(C)(CN)[CH](N)C(O)=O
InChi:	InChI=1S/C6H14N2O2/c1-6(2,3-7)4(8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m1/s1
Definition date:	2024-06-06
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2~{S})-2,4-bis(azanyl)-3,3-dimethyl-butanoic acid

A1D8Z

A1D8Z
Name:	3,5-bis(trifluoromethyl)aniline
Formula:	C8 H5 F6 N
SMILES:	Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
Synonyms:	3,5-Di(trifluoromethyl)aniline
Definition date:	2024-06-11
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	3,5-bis(trifluoromethyl)aniline

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