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VXV
VXV
Name:4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:C17 H15 Cl N2 O3
SMILES:C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl
InChi:InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23)
Definition date:2020-09-20
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
W4S
W4S
Name:7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C7 H8 N4
SMILES:Cn2ccc1c(ncnc12)N
InChi:InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
W4V
W4V
Name:6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
Formula:C8 H9 N5
SMILES:n3n2c(c1CCCc1nc2nc3)N
InChi:InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
W4Y
W4Y
Name:1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:C11 H15 N3 O2 S
SMILES:C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S
InChi:InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
W51
W51
Name:6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
Formula:C11 H15 Cl N4
SMILES:C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3
InChi:InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
W57
W57
Name:3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine
Formula:C10 H10 N6 O2
SMILES:c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC
InChi:InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine
W5A
W5A
Name:3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine
Formula:C10 H10 N6 S
SMILES:c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3
InChi:InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine
W5D
W5D
Name:4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:C13 H18 N4 O
SMILES:c2(c1ccnc1ncn2)N3CCOCCCCC3
InChi:InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
W5G
W5G
Name:4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:C13 H16 N4
SMILES:n2c1nccc1c(nc2)N4CCCC3(CC3)C4
InChi:InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
W5J
W5J
Name:N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
Formula:C10 H12 N4 O2
SMILES:c1nc2nccc2c(n1)N(C)CCC(O)=O
InChi:InChI=1S/C10H12N4O2/c1-14(5-3-8(15)16)10-7-2-4-11-9(7)12-6-13-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,11,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
W5M
W5M
Name:9-methyl-9H-purine-2,6-diamine
Formula:C6 H8 N6
SMILES:Cn2cnc1c(nc(N)nc12)N
InChi:InChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:9-methyl-9H-purine-2,6-diamine
W5P
W5P
Name:4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C11 H13 F N4
SMILES:c1nc3nccc3c(n1)N2CCCC(F)C2
InChi:InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
W5S
W5S
Name:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C13 H14 N4 O
SMILES:n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3
InChi:InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
W6A
W6A
Name:4-chloro-1H-indole-2-carboxylic acid
Formula:C9 H6 Cl N O2
SMILES:c2cc1c(cc(C(O)=O)n1)c(c2)Cl
InChi:InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-chloro-1H-indole-2-carboxylic acid
W6D
W6D
Name:1H-indole-4-carboxamide
Formula:C9 H8 N2 O
SMILES:c2nc1cccc(C(N)=O)c1c2
InChi:InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1H-indole-4-carboxamide
W6G
W6G
Name:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Formula:C8 H7 N3 O2 S2
SMILES:c1(ccccc1)S(Nc2scnn2)(=O)=O
InChi:InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
W6J
W6J
Name:1-(pyridin-2-yl)-1,4-diazepane
Formula:C10 H15 N3
SMILES:C2CN(c1ncccc1)CCCN2
InChi:InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1-(pyridin-2-yl)-1,4-diazepane
W6M
W6M
Name:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
Formula:C12 H11 N3 O4
SMILES:c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2
InChi:InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
W6P
W6P
Name:1,3-dihydro-2H-indol-2-one
Formula:C8 H7 N O
SMILES:C2(=O)Cc1c(cccc1)N2
InChi:InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1,3-dihydro-2H-indol-2-one
W6S
W6S
Name:4-(1H-pyrazol-3-yl)piperidine
Formula:C8 H13 N3
SMILES:c2cc(C1CCNCC1)nn2
InChi:InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-(1H-pyrazol-3-yl)piperidine
W6V
W6V
Name:N-(1,3-thiazol-2-yl)benzamide
Formula:C10 H8 N2 O S
SMILES:c2c(C(=O)Nc1nccs1)cccc2
InChi:InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3-thiazol-2-yl)benzamide
W7S
W7S
Name:N-benzylpyrazine-2-carboxamide
Formula:C12 H11 N3 O
SMILES:c2c(CNC(c1cnccn1)=O)cccc2
InChi:InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-benzylpyrazine-2-carboxamide
W7V
W7V
Name:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
Formula:C11 H15 N3 O
SMILES:C1CCC3C1(C(N(C)c2cnnc2)=O)C3
InChi:InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
W7Y
W7Y
Name:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H18 N4
SMILES:c1(ncnc2nccc12)N4C(C3CCC3)CCC4
InChi:InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
W8A
W8A
Name:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
Formula:C8 H12 N2 O4 S
SMILES:CC(C(N1CCNC1=O)=O)SCC(=O)O
InChi:InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid

224572

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