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RZR
RZR
Name:(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H19 N3 O4
SMILES:CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
S09
S09
Name:(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C24 H21 N3 O5
SMILES:O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m1/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
S0T
S0T
Name:(1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C24 H21 N3 O5
SMILES:O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
S1F
S1F
Name:(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H18 N2 O5
SMILES:O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
S1O
S1O
Name:{1-[(3S)-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:OCc1cn(nn1)C1CN(CCC1)c1ncnc2[NH]ccc21
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-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:{1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
S1X
S1X
Name:(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H20 N2 O4
SMILES:O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1
InChi:InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
S2R
S2R
Name:(1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H20 N2 O4
SMILES:O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1
InChi:InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m1/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
S3E
S3E
Name:[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Formula:C12 H14 N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]ccc12
InChi:InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m0/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
S3R
S3R
Name:5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
Formula:C11 H14 Cl N7
SMILES:Nc1ncc(Cl)nc1NCc1nnc(C)n1C1CC1
InChi:InChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16)
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
S4F
S4F
Name:3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid
Formula:C12 H17 Cl N4 O2
SMILES:O=C(O)CCC1CCCN(C1)c1ncnc(N)c1Cl
InChi:InChI=1S/C12H17ClN4O2/c13-10-11(14)15-7-16-12(10)17-5-1-2-8(6-17)3-4-9(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,16)/t8-/m1/s1
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid
S4O
S4O
Name:4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one
Formula:C13 H13 N3 O5
SMILES:OC=1C=C(OC(=O)C=1)C(=O)N1Cc2n(C)nc(O)c2CC1
InChi:InChI=1S/C13H13N3O5/c1-15-9-6-16(3-2-8(9)12(19)14-15)13(20)10-4-7(17)5-11(18)21-10/h4-5,17H,2-3,6H2,1H3,(H,14,19)
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one
S50
S50
Name:1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide
Formula:C16 H19 N5 O2 S
SMILES:O=S(=O)(Nc1cc2cc[NH]c2nc1)c1cc(C)nn1C1CCCC1
InChi:InChI=1S/C16H19N5O2S/c1-11-8-15(21(19-11)14-4-2-3-5-14)24(22,23)20-13-9-12-6-7-17-16(12)18-10-13/h6-10,14,20H,2-5H2,1H3,(H,17,18)
Definition date:2022-06-23
Last modified:2022-07-08
Release date:2022-07-13
Identifier:1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide
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
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
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
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
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
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
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
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
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
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
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
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
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

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