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YWD
YWD
Name:3-[(prop-2-yn-1-yl)oxy]propanoic acid
Formula:C6 H8 O3
SMILES:O=C(O)CCOCC#C
InChi:InChI=1S/C6H8O3/c1-2-4-9-5-3-6(7)8/h1H,3-5H2,(H,7,8)
Definition date:2021-04-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[(prop-2-yn-1-yl)oxy]propanoic acid
YWG
YWG
Name:N-[(4S)-4-amino-5-oxohexyl]urea
Formula:C7 H15 N3 O2
SMILES:NC(=O)NCCCC(N)C(C)=O
InChi:InChI=1S/C7H15N3O2/c1-5(11)6(8)3-2-4-10-7(9)12/h6H,2-4,8H2,1H3,(H3,9,10,12)/t6-/m0/s1
Definition date:2021-04-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4S)-4-amino-5-oxohexyl]urea
J4I
J4I
Name:6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole
Formula:C18 H19 N3 O3 S
SMILES:Cc1c(C)c(OC)c(C)nc1CSc1[NH]c2cc3OCOc3cc2n1
InChi:InChI=1S/C18H19N3O3S/c1-9-10(2)17(22-4)11(3)19-14(9)7-25-18-20-12-5-15-16(24-8-23-15)6-13(12)21-18/h5-6H,7-8H2,1-4H3,(H,20,21)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole
ZNS
ZNS
Name:4-oxo-4-(phosphonooxy)butanoic acid
Formula:C4 H7 O7 P
SMILES:O=P(O)(O)OC(=O)CCC(=O)O
InChi:InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
Definition date:2021-05-12
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-oxo-4-(phosphonooxy)butanoic acid
J6I
J6I
Name:2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile
Formula:C16 H15 N3 O
SMILES:N#Cc1c(OC2C=CCCC2)c2ccccc2nc1N
InChi:InChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile
AQX
AQX
Name:N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Formula:C19 H13 Br F N5 O2 S
SMILES:Brc1ccc(cc1)NC(=O)CSC1=Nc2c(cnn2c2ccc(F)cc2)C(=O)N1
InChi:InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28)
Definition date:2021-11-09
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
J7M
J7M
Name:4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
Formula:C19 H19 N3 O2
SMILES:Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O
InChi:InChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
J8J
J8J
Name:5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
Formula:C26 H23 N5 O4
SMILES:O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(=CNC1=O)C1CC1)c1ccccc1
InChi:InChI=1S/C26H23N5O4/c32-24-19(8-16(11-27-24)14-6-7-14)26(34)31-20-10-22-21(9-18(20)25(33)28-17-12-35-13-17)29-23(30-22)15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12-13H2,(H,27,32)(H,28,33)(H,29,30)(H,31,34)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
XP2
XP2
Name:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
Formula:C51 H93 O24 P
SMILES:CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(OC2OC(COC(=O)CCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C51H93O24P/c1-4-7-10-13-15-17-20-22-25-35(53)67-29-32(70-37(55)27-24-19-12-9-6-3)30-69-76(65,66)75-49-47(73-50-45(63)40(58)38(56)33(28-52)71-50)43(61)42(60)44(62)48(49)74-51-46(64)41(59)39(57)34(72-51)31-68-36(54)26-23-21-18-16-14-11-8-5-2/h32-34,38-52,56-64H,4-31H2,1-3H3,(H,65,66)/t32-,33-,34-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+/m1/s1
Definition date:2022-08-29
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
J9C
J9C
Name:6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C21 H19 N7 O
SMILES:Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(C)nn1c1ccccc1
InChi:InChI=1S/C21H19N7O/c1-14-8-9-18(25-16-11-22-13-23-12-16)20(24-14)21(29)26-19-10-15(2)27-28(19)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
JAP
JAP
Name:(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
Formula:C16 H21 F N8
SMILES:Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(F)CC1
InChi:InChI=1S/C16H21FN8/c1-10-8-18-11(2)15-19-13(21-25(10)15)4-5-14-20-16(22-23(14)3)24-7-6-12(17)9-24/h8,12H,4-7,9H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
JBV
JBV
Name:(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
Formula:C17 H22 F2 N8
SMILES:Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(CC1)C(F)F
InChi:InChI=1S/C17H22F2N8/c1-10-8-20-11(2)16-21-13(23-27(10)16)4-5-14-22-17(24-25(14)3)26-7-6-12(9-26)15(18)19/h8,12,15H,4-7,9H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
JCJ
JCJ
Name:3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one
Formula:C18 H12 Br N5 O
SMILES:O=C1C=CN(N=C1c1ccnn1c1cc(Br)ccc1)c1ccncc1
InChi:InChI=1S/C18H12BrN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one
JCP
JCP
Name:6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C20 H19 N7 O2
SMILES:O=C(Nc1cnccc1C(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C20H19N7O2/c1-21-19(28)14-6-7-22-10-17(14)27-20(29)18-16(25-13-8-23-11-24-9-13)5-4-15(26-18)12-2-3-12/h4-12,25H,2-3H2,1H3,(H,21,28)(H,27,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
LT0
LT0
Name:D-tryptophyl-L-serine
Formula:C14 H17 N3 O4
SMILES:N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O
InChi:InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1
Synonyms:(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
Definition date:2022-07-12
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
JD6
JD6
Name:2,3-dimethylquinoxalin-6-amine
Formula:C10 H11 N3
SMILES:Nc1cc2nc(C)c(C)nc2cc1
InChi:InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2,3-dimethylquinoxalin-6-amine
JDA
JDA
Name:5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
Formula:C23 H24 N6
SMILES:CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccnn4)n2
InChi:InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
Definition date:2022-04-26
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
JDU
JDU
Name:1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide
Formula:C22 H19 N5 O3
SMILES:O=C(Nc1cncnc1)C1=CC=CN(CCc2nc(oc2C)c2ccccc2)C1=O
InChi:InChI=1S/C22H19N5O3/c1-15-19(26-21(30-15)16-6-3-2-4-7-16)9-11-27-10-5-8-18(22(27)29)20(28)25-17-12-23-14-24-13-17/h2-8,10,12-14H,9,11H2,1H3,(H,25,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide
K9F
K9F
Name:5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
Formula:C20 H18 N4
SMILES:Cn1cc(nc1CCc1cccc2nccnc12)c1ccccc1
InChi:InChI=1S/C20H18N4/c1-24-14-18(15-6-3-2-4-7-15)23-19(24)11-10-16-8-5-9-17-20(16)22-13-12-21-17/h2-9,12-14H,10-11H2,1H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
K9O
K9O
Name:4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
Formula:C21 H20 Cl N5 O
SMILES:Clc1cnn(CC(C)C)c1C(=O)Nc1ccc2nc([NH]c2c1)c1ccccc1
InChi:InChI=1S/C21H20ClN5O/c1-13(2)12-27-19(16(22)11-23-27)21(28)24-15-8-9-17-18(10-15)26-20(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,24,28)(H,25,26)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
JTL
JTL
Name:N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
Formula:C14 H11 N3 O S
SMILES:O=C(NCc1cccs1)c1cc2nccnc2cc1
InChi:InChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
K9X
K9X
Name:4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C18 H15 Br N6 O
SMILES:Brc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C
InChi:InChI=1S/C18H15BrN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
KA6
KA6
Name:1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C20 H24 N8 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCCC1)N1CCOCC1
InChi:InChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-8-10-31-11-9-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-5-2-3-6-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
JFG
JFG
Name:3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide
Formula:C21 H18 N4 O
SMILES:Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1
InChi:InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide
JTX
JTX
Name:(4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine
Formula:C16 H19 F3 N8
SMILES:FC(F)(F)c1cnc(C)n2nc(nc12)CCc1nc(nn1C)N1CCCC1
InChi:InChI=1S/C16H19F3N8/c1-10-20-9-11(16(17,18)19)14-21-12(23-27(10)14)5-6-13-22-15(24-25(13)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine

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