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S5F
S5F
Name:6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one
Formula:C14 H17 Cl N6 O
SMILES:ClC1=CC(=NC(=O)N1)N1CC(Cn2cnnc2)C2(CCC2)C1
InChi:InChI=1S/C14H17ClN6O/c15-11-4-12(19-13(22)18-11)21-6-10(5-20-8-16-17-9-20)14(7-21)2-1-3-14/h4,8-10H,1-3,5-7H2,(H,18,19,22)/t10-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one
WVG
WVG
Name:3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
Formula:C14 H18 N4 O2
SMILES:c21c(ncc1)ncnc2N3CCCC(CCC(O)=O)C3
InChi:InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
S5O
S5O
Name:(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
Formula:C14 H17 N5 O2
SMILES:O=C(O)C1CC2CCC1CN(C2)c1ncnc2nc[NH]c21
InChi:InChI=1S/C14H17N5O2/c20-14(21)10-3-8-1-2-9(10)5-19(4-8)13-11-12(16-6-15-11)17-7-18-13/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18)/t8-,9-,10-/m1/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
WVM
WVM
Name:(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
Formula:C15 H21 F N4 O3
SMILES:c3nc(NCC(C)O)cc(N2CC1(CCC1)C(C2)(C(O)=O)F)n3
InChi:InChI=1S/C15H21FN4O3/c1-10(21)6-17-11-5-12(19-9-18-11)20-7-14(3-2-4-14)15(16,8-20)13(22)23/h5,9-10,21H,2-4,6-8H2,1H3,(H,22,23)(H,17,18,19)/t10-,15+/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
S5U
S5U
Name:4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid
Formula:C12 H14 N4 O3
SMILES:O=C(O)CCCN(C)C(=O)c1ncnc2[NH]ccc12
InChi:InChI=1S/C12H14N4O3/c1-16(6-2-3-9(17)18)12(19)10-8-4-5-13-11(8)15-7-14-10/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,13,14,15)
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid
WVY
WVY
Name:[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
Formula:C17 H19 N3 O3
SMILES:c3nn(c2ccc(CC(OCC1C(NCCC1)=O)=O)cc2)cc3
InChi:InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
S63
S63
Name:(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
Formula:C15 H16 Cl N3 O3
SMILES:CC1(CCN(C1)C(=O)Cc1c[NH]c2nccc(Cl)c21)C(=O)O
InChi:InChI=1S/C15H16ClN3O3/c1-15(14(21)22)3-5-19(8-15)11(20)6-9-7-18-13-12(9)10(16)2-4-17-13/h2,4,7H,3,5-6,8H2,1H3,(H,17,18)(H,21,22)/t15-/m1/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
WW1
WW1
Name:3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
Formula:C12 H13 N5 S
SMILES:c3nc1n(c(nn1)SCC(c2ccccc2)C)n3
InChi:InChI=1S/C12H13N5S/c1-9(10-5-3-2-4-6-10)7-18-12-16-15-11-13-8-14-17(11)12/h2-6,8-9H,7H2,1H3,(H,13,14,15)/t9-/m0/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
WW4
WW4
Name:4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H15 N5 S
SMILES:n1ccc2c1ncnc2N4CCC(Cc3nccs3)C4
InChi:InChI=1S/C14H15N5S/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(8-19)7-12-15-4-6-20-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
S6C
S6C
Name:[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid
Formula:C12 H15 N5 O2
SMILES:O=C(O)CC1CCCN(C1)c1ncnc2nc[NH]c12
InChi:InChI=1S/C12H15N5O2/c18-9(19)4-8-2-1-3-17(5-8)12-10-11(14-6-13-10)15-7-16-12/h6-8H,1-5H2,(H,18,19)(H,13,14,15,16)/t8-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid
WWJ
WWJ
Name:5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
Formula:C17 H22 N6 O
SMILES:c1(ncnc2c1c(CC)cn2)N3CCCC(C3)Cc4nc(C)no4
InChi:InChI=1S/C17H22N6O/c1-3-13-8-18-16-15(13)17(20-10-19-16)23-6-4-5-12(9-23)7-14-21-11(2)22-24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
S6N
S6N
Name:(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid
Formula:C15 H18 N4 O3
SMILES:O=C(c1ncnc2[NH]ccc21)N1CC(CCC1(C)C)C(=O)O
InChi:InChI=1S/C15H18N4O3/c1-15(2)5-3-9(14(21)22)7-19(15)13(20)11-10-4-6-16-12(10)18-8-17-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,22)(H,16,17,18)/t9-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid
WWS
WWS
Name:3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine
Formula:C11 H9 Cl N6
SMILES:c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N
InChi:InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine
S6U
S6U
Name:2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
Formula:C12 H12 N4 O4
SMILES:O=C1OCCN1CCOC(=O)c1ncnc2[NH]ccc21
InChi:InChI=1S/C12H12N4O4/c17-11(19-5-3-16-4-6-20-12(16)18)9-8-1-2-13-10(8)15-7-14-9/h1-2,7H,3-6H2,(H,13,14,15)
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
WX4
WX4
Name:{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
Formula:C14 H17 N7 O
SMILES:C3CN(c2c1ccnc1ncn2)CC(C3)n4cc(CO)nn4
InChi:InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
WX7
WX7
Name:5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Formula:C13 H14 N6 O2
SMILES:C4N(c2c1c(ncc1)ncn2)CC(C3=NNC(O3)=O)CC4
InChi:InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
WXA
WXA
Name:5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H20 N4 O2 S
SMILES:C1CCC(CN1c3c2c(CC)cnc2ncn3)S(C)(=O)=O
InChi:InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
WXD
WXD
Name:5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H20 N4 O2 S
SMILES:c3(N1CCCC(C1)S(C)(=O)=O)c2c(CC)cnc2ncn3
InChi:InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m0/s1
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
WXG
WXG
Name:1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one
Formula:C11 H13 N5 O S
SMILES:c1(ncnc2ncnc12)SCCN3C(=O)CCC3
InChi:InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one
WXJ
WXJ
Name:4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile
Formula:C14 H12 N6 O
SMILES:c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N
InChi:InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile
S7F
S7F
Name:(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide
Formula:C12 H18 N4 O3 S
SMILES:O=S(=O)(c1cc(C)c(N)nc1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C12H18N4O3S/c1-8-5-10(6-15-11(8)13)20(18,19)16-4-2-3-9(7-16)12(14)17/h5-6,9H,2-4,7H2,1H3,(H2,13,15)(H2,14,17)/t9-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide
WXS
WXS
Name:4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
Formula:C10 H8 N4 O3 S
SMILES:c2(c1c(ncn1)ncn2)SCC3=C(C)OC(=O)O3
InChi:InChI=1S/C10H8N4O3S/c1-5-6(17-10(15)16-5)2-18-9-7-8(12-3-11-7)13-4-14-9/h3-4H,2H2,1H3,(H,11,12,13,14)
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
WXY
WXY
Name:(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
Formula:C16 H20 N4 O
SMILES:C4CCC3(CCCN3C(c2c1c(ncc1)ncn2)=O)CC4
InChi:InChI=1S/C16H20N4O/c21-15(13-12-5-9-17-14(12)19-11-18-13)20-10-4-8-16(20)6-2-1-3-7-16/h5,9,11H,1-4,6-8,10H2,(H,17,18,19)
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
S7O
S7O
Name:2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid
Formula:C10 H11 N4 O4
SMILES:O=C(O)CN(C)C(=O)c1c[n+]2C(=O)NNc2cc1
InChi:InChI=1S/C10H10N4O4/c1-13(5-8(15)16)9(17)6-2-3-7-11-12-10(18)14(7)4-6/h2-4H,5H2,1H3,(H2,12,15,16,18)/p+1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:N-methyl-N-(3-oxo-2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-carbonyl)glycine
WYA
WYA
Name:3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Formula:C14 H12 N8 O
SMILES:c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4
InChi:InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23)
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

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