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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
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
O5X
O5X
Name:6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
Formula:C12 H17 N3
SMILES:Cc1cc(C#CCCN(C)C)nc(N)c1
InChi:InChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14)
Definition date:2022-04-25
Last modified:2022-07-08
Release date:2022-07-13
Identifier:6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
O6I
O6I
Name:6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine
Formula:C12 H21 N3
SMILES:Cc1cc(CCCCN(C)C)nc(N)c1
InChi:InChI=1S/C12H21N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14)
Definition date:2022-04-25
Last modified:2022-07-08
Release date:2022-07-13
Identifier:6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine
4I0
4I0
Name:2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile
Formula:C30 H34 F2 N8 O S
SMILES:CCc1nc2ccc(cn2c1N(C)[CH]3NC(=C(S3)C#N)c4ccc(F)cc4)N5CCN(CC5)CC(=O)N6CC[CH](F)C6
InChi:InChI=1S/C30H34F2N8OS/c1-3-24-29(36(2)30-35-28(25(16-33)42-30)20-4-6-21(31)7-5-20)40-18-23(8-9-26(40)34-24)38-14-12-37(13-15-38)19-27(41)39-11-10-22(32)17-39/h4-9,18,22,30,35H,3,10-15,17,19H2,1-2H3/t22-,30+/m1/s1
Definition date:2021-06-30
Last modified:2022-07-08
Release date:2022-07-13
Identifier:2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile
M5L
M5L
Name:6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
Formula:C14 H21 F2 N3
SMILES:Cc1cc(CCCN2CCC(F)(F)CC2)nc(N)c1
InChi:InChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18)
Definition date:2022-03-14
Last modified:2022-07-08
Release date:2022-07-13
Identifier:6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
4IW
4IW
Name:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name)
Formula:C12 H22 O10 Se2
SMILES:OC1C([Se][Se]C2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O
InChi:InChI=1S/C12H22O10Se2/c13-1-3-5(15)7(17)9(19)11(21-3)23-24-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
Definition date:2021-07-12
Last modified:2022-07-08
Release date:2022-07-13
Identifier:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name)
4IZ
4IZ
Name:beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
Formula:C12 H22 O10 Se
SMILES:OC1C(OC(CO)C(O)C1O)[Se]C1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C12H22O10Se/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
Definition date:2021-07-12
Last modified:2022-07-08
Release date:2022-07-13
Identifier:beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
KKU
KKU
Name:4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine
Formula:C10 H17 N3
SMILES:Cc1cc(CCCNC)nc(N)c1
InChi:InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
Definition date:2022-02-04
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine
KL0
KL0
Name:6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine
Formula:C11 H19 N3
SMILES:Cc1cc(CCCN(C)C)nc(N)c1
InChi:InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13)
Definition date:2022-02-04
Last modified:2022-07-08
Release date:2022-07-13
Identifier:6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine
4KW
4KW
Name:1-monoenoyl-CoA
Formula:C28 H44 N7 O17 P3 S
SMILES:OC(C(NCCC(NCCSC(C1=CCCCC1)=O)=O)=O)C(C)(C)COP(O)(=O)OP(O)(OCC4OC(n2c3c(nc2)c(N)ncn3)C(C4OP(=O)(O)O)O)=O
InChi:InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1
Synonyms:Cyclohex-1-ene-1-carbonyl-CoA
Definition date:2015-04-01
Last modified:2022-07-08
Release date:2022-07-13
Identifier:S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohex-1-ene-1-carbothioate (non-preferred name)
KMI
KMI
Name:4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine
Formula:C14 H17 N3
SMILES:Cc1cc(nc(N)c1)c1cccc(CNC)c1
InChi:InChI=1S/C14H17N3/c1-10-6-13(17-14(15)7-10)12-5-3-4-11(8-12)9-16-2/h3-8,16H,9H2,1-2H3,(H2,15,17)
Definition date:2022-02-04
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine
KMR
KMR
Name:4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
Formula:C14 H24 N4
SMILES:Cc1cc(CCCN2CCN(C)CC2)nc(N)c1
InChi:InChI=1S/C14H24N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)
Definition date:2022-02-07
Last modified:2022-07-08
Release date:2022-07-13
Identifier:4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
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
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
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
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
WWP
WWP
Name:3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
Formula:C13 H10 F3 N5
SMILES:c1(cc(C(F)(F)F)ccc1)CN3C=NC(=C2N=CN=C23)N
InChi:InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-8(4-9)5-21-7-20-11(17)10-12(21)19-6-18-10/h1-4,6-7H,5,17H2
Definition date:2020-11-17
Last modified:2022-07-08
Release date:2022-07-13
Identifier:3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
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

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