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G5Y
G5Y
Name:3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
Formula:C6 H4 O5
SMILES:O=C(O)C=1OC=CC(C=1O)=O
InChi:InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)
Definition date:2018-05-09
Last modified:2018-11-02
Release date:2018-11-07
Identifier:3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
GEZ
GEZ
Name:6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
Formula:C19 H24 N4 O3 S
SMILES:COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)(=O)C(C)(C)C
InChi:InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)
Definition date:2018-09-13
Last modified:2018-11-02
Release date:2018-11-07
Identifier:6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
EYS
EYS
Name:S-SELANYLCYSTEINAL
Formula:C3 H8 N O S Se
SMILES:O=CC([NH3+])CS[SeH]
InChi:InChI=1S/C3H7NOSSe/c4-3(1-5)2-6-7/h1,3,7H,2,4H2/p+1/t3-/m1/s1
Definition date:1999-07-08
Last modified:2018-10-30
Identifier:(2R)-1-oxo-3-(selanylsulfanyl)propan-2-aminium
GRZ
GRZ
Name:1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
Formula:C15 H10 Cl F N4 O3
SMILES:ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
InChi:InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
Definition date:2018-10-08
Last modified:2018-10-26
Release date:2018-10-31
Identifier:1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
GT2
GT2
Name:4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
Formula:C14 H9 Cl3 N2 O3
SMILES:ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChi:InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
Definition date:2018-10-08
Last modified:2018-10-26
Release date:2018-10-31
Identifier:4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
RY
RY
Name:5'-3,6-dihydrocytidylic acid
Formula:C9 H16 N3 O8 P
SMILES:P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O
InChi:InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:2018-09-06
Last modified:2018-10-26
Release date:2018-10-31
Identifier:5'-3,6-dihydrocytidylic acid
JXV
JXV
Name:(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
Formula:C20 H19 N3 O3
SMILES:c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4
InChi:InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1
Definition date:2018-10-15
Last modified:2018-10-26
Release date:2018-10-31
Identifier:(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
T34
T34
Name:4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide
Formula:C15 H16 N2 O2
SMILES:Cc1ccc(cc1NCc2ccccc2)C(=O)NO
InChi:InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
Definition date:2018-10-08
Last modified:2018-10-26
Release date:2018-10-31
Identifier:4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide
T61
T61
Name:3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide
Formula:C14 H11 Cl N2 O3
SMILES:ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChi:InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
Definition date:2018-10-04
Last modified:2018-10-26
Release date:2018-10-31
Identifier:3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide
T86
T86
Name:3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide
Formula:C15 H12 Cl2 N2 O4
SMILES:COc1ccc(cc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)NO
InChi:InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)
Definition date:2018-10-08
Last modified:2018-10-26
Release date:2018-10-31
Identifier:3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide
R70
R70
Name:3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
Formula:C24 H18 N2 O4
SMILES:COc1ccccc1C2=C(Nc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC2=O
InChi:InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
Definition date:2018-10-17
Last modified:2018-10-26
Release date:2018-10-31
Identifier:3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
J2M
J2M
Name:N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
Formula:C19 H16 F N5 O2
SMILES:N1CCc4c(C1=O)c(c2cnc(cc2)F)c(c3cc(ncc3)NC(=O)C)n4
InChi:InChI=1S/C19H16FN5O2/c1-10(26)24-15-8-11(4-6-21-15)18-16(12-2-3-14(20)23-9-12)17-13(25-18)5-7-22-19(17)27/h2-4,6,8-9,25H,5,7H2,1H3,(H,22,27)(H,21,24,26)
Definition date:2018-08-06
Last modified:2018-10-26
Release date:2018-10-31
Identifier:N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
J2V
J2V
Name:N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
Formula:C20 H17 N5 O2
SMILES:c4c(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc(n4)OC
InChi:InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
Definition date:2018-08-06
Last modified:2018-10-26
Release date:2018-10-31
Identifier:N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
J2Y
J2Y
Name:N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
Formula:C20 H17 N5 O2
SMILES:c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC
InChi:InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
Definition date:2018-08-06
Last modified:2018-10-26
Release date:2018-10-31
Identifier:N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
J7G
J7G
Name:3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
Formula:C20 H13 Cl N4 O3
SMILES:C(=O)(Nc2cc(C#Cc1cccc(c1)C(O)=O)ncc2)Nc3cc(Cl)ncc3
InChi:InChI=1S/C20H13ClN4O3/c21-18-12-17(7-9-23-18)25-20(28)24-16-6-8-22-15(11-16)5-4-13-2-1-3-14(10-13)19(26)27/h1-3,6-12H,(H,26,27)(H2,22,23,24,25,28)
Definition date:2018-08-20
Last modified:2018-10-26
Release date:2018-10-31
Identifier:3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
J7J
J7J
Name:N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
Formula:C18 H13 Br Cl N5 O2 S
SMILES:c1c(ncc(c1NC(=O)Nc2c(c(ns2)C#Cc3cc(CO)ccc3)Br)N)Cl
InChi:InChI=1S/C18H13BrClN5O2S/c19-16-13(5-4-10-2-1-3-11(6-10)9-26)25-28-17(16)24-18(27)23-14-7-15(20)22-8-12(14)21/h1-3,6-8,26H,9,21H2,(H2,22,23,24,27)
Definition date:2018-08-20
Last modified:2018-10-26
Release date:2018-10-31
Identifier:N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
7R2
7R2
Name:N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
Formula:C19 H26 N4 S
SMILES:c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N
InChi:InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
Definition date:2018-02-26
Last modified:2018-10-26
Release date:2018-10-31
Identifier:N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
9A0
9A0
Name:2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
Formula:C26 H28 N2 O4 S
SMILES:C(C(=O)Nc2ccc(C(C(=O)Nc1ccccc1)(C)C)cc2)c3ccc(cc3)S(=O)(CC)=O
InChi:InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)
Definition date:2018-02-08
Last modified:2018-10-26
Release date:2018-10-31
Identifier:2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
BKN
BKN
Name:ethyl 5-oxohexanoate
Formula:C8 H14 O3
SMILES:CCOC(=O)CCCC(C)=O
InChi:InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
Definition date:2017-10-10
Last modified:2018-10-26
Release date:2018-10-31
Identifier:ethyl 5-oxidanylidenehexanoate
BKQ
BKQ
Name:ethyl levulinate
Formula:C7 H12 O3
SMILES:CCOC(=O)CCC(C)=O
InChi:InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
Definition date:2017-10-10
Last modified:2018-10-26
Release date:2018-10-31
Identifier:ethyl 4-oxidanylidenepentanoate
BOH
BOH
Name:(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:C14 H15 N3 O3 S
SMILES:C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(C)=O
InChi:InChI=1S/C14H15N3O3S/c1-7(15)13(20)17-14-16-11(8(2)18)12(21-14)9-4-3-5-10(19)6-9/h3-7,19H,15H2,1-2H3,(H,16,17,20)/t7-/m1/s1
Definition date:2017-10-11
Last modified:2018-10-26
Release date:2018-10-31
Identifier:(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
BQ8
BQ8
Name:(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula:C15 H17 N5 O4 S
SMILES:C[CH](NC(N)=N)C(=O)Nc1sc(c2cc(O)cc(O)c2)c(n1)C(C)=O
InChi:InChI=1S/C15H17N5O4S/c1-6(18-14(16)17)13(24)20-15-19-11(7(2)21)12(25-15)8-3-9(22)5-10(23)4-8/h3-6,22-23H,1-2H3,(H4,16,17,18)(H,19,20,24)/t6-/m1/s1
Definition date:2017-10-12
Last modified:2018-10-26
Release date:2018-10-31
Identifier:(2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
BQB
BQB
Name:5-(4-nitrophenylazo)-3-iodosalicylic acid
Formula:C13 H8 I N3 O5
SMILES:OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O
InChi:InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+
Definition date:2017-10-12
Last modified:2018-10-26
Release date:2018-10-31
Identifier:3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid
BQE
BQE
Name:(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
Formula:C23 H30 F2 N6 O2 S
SMILES:CC(=O)C1=C(SC(N1)=NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)c4cncc(N)c4
InChi:InChI=1S/C23H30F2N6O2S/c1-14(32)19-20(16-10-17(26)12-28-11-16)34-22(29-19)30-21(33)18-13-27-7-9-31(18)8-4-15-2-5-23(24,25)6-3-15/h10-12,15,18,27H,2-9,13,26H2,1H3,(H,29,30,33)/t18-/m1/s1
Definition date:2017-10-12
Last modified:2018-10-26
Release date:2018-10-31
Identifier:(~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
BQH
BQH
Name:(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Formula:C10 H14 N4 O2 S
SMILES:CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1
InChi:InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1
Definition date:2017-10-12
Last modified:2018-10-26
Release date:2018-10-31
Identifier:(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

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數據於2024-07-31公開中

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