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VXF
VXF
Name:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
Formula:C10 H15 N3 O
SMILES:NCc1cc(ncc1)N1CCOCC1
InChi:InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
VIK
VIK
Name:methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
Formula:C7 H12 O4 S
SMILES:O=S1(=O)CCC(CC(=O)OC)C1
InChi:InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
WD8
WD8
Name:methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
Formula:C11 H15 N O3 S
SMILES:O=C(N(CC(=O)OC)C(C)C)c1ccsc1
InChi:InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
VIP
VIP
Name:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
Formula:C9 H13 N O2
SMILES:NC(C)(CO)c1cc(O)ccc1
InChi:InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
VXK
VXK
Name:5-bromo-N-propylthiophene-3-carboxamide
Formula:C8 H10 Br N O S
SMILES:O=C(NCCC)c1csc(Br)c1
InChi:InChI=1S/C8H10BrNOS/c1-2-3-10-8(11)6-4-7(9)12-5-6/h4-5H,2-3H2,1H3,(H,10,11)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:5-bromo-N-propylthiophene-3-carboxamide
WDC
WDC
Name:2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
Formula:C10 H15 Cl N2 O
SMILES:Clc1ccc(N)cc1CN(C)CCO
InChi:InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
V33
V33
Name:(3-methoxyphenyl)acetic acid
Formula:C9 H10 O3
SMILES:COc1cc(CC(=O)O)ccc1
InChi:InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3-methoxyphenyl)acetic acid
WDH
WDH
Name:N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
Formula:C11 H18 N4 O
SMILES:Cc1nc(ccn1)N(CC(=O)NCC)CC
InChi:InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
VIX
VIX
Name:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
Formula:C12 H14 Cl N O3
SMILES:OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
WDN
WDN
Name:methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
Formula:C9 H11 N O3 S
SMILES:CN(CC(=O)OC)C(=O)c1ccsc1
InChi:InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
VJ0
VJ0
Name:(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine
Formula:C9 H12 F N O
SMILES:Fc1cc(ccc1OC)C(C)N
InChi:InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine
VXW
VXW
Name:N-[(4-methylphenyl)methyl]-3-oxobutanamide
Formula:C12 H15 N O2
SMILES:CC(=O)CC(=O)NCc1ccc(C)cc1
InChi:InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(H,13,15)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-[(4-methylphenyl)methyl]-3-oxobutanamide
V3F
V3F
Name:(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
Formula:C10 H10 N2 O2
SMILES:CC1(NC(=O)NC1=O)c1ccccc1
InChi:InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
VY2
VY2
Name:ethyl (3-methylanilino)(oxo)acetate
Formula:C11 H13 N O3
SMILES:O=C(Nc1cc(C)ccc1)C(=O)OCC
InChi:InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:ethyl (3-methylanilino)(oxo)acetate
VJ9
VJ9
Name:ethyl 4-fluoro-3-nitrobenzoate
Formula:C9 H8 F N O4
SMILES:Fc1ccc(cc1N(=O)=O)C(=O)OCC
InChi:InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:ethyl 4-fluoro-3-nitrobenzoate
WDZ
WDZ
Name:methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate
Formula:C9 H14 N4 O2
SMILES:COC(=O)Cn1nnnc1C1CCCC1
InChi:InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate
VY6
VY6
Name:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
Formula:C10 H13 N O4
SMILES:O=C(O)c1ccoc1CN1CCOCC1
InChi:InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
V3R
V3R
Name:(2S)-4-(3,4-difluorophenyl)butan-2-amine
Formula:C10 H13 F2 N
SMILES:Fc1ccc(CCC(C)N)cc1F
InChi:InChI=1S/C10H13F2N/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2S)-4-(3,4-difluorophenyl)butan-2-amine
WE5
WE5
Name:methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
Formula:C12 H13 N O3
SMILES:O=C(OC)C1CC(=O)N(C1)c1ccccc1
InChi:InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
VYB
VYB
Name:2-{[(3-bromophenyl)methyl]amino}ethan-1-ol
Formula:C9 H12 Br N O
SMILES:Brc1cc(CNCCO)ccc1
InChi:InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-{[(3-bromophenyl)methyl]amino}ethan-1-ol
VJI
VJI
Name:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
Formula:C10 H14 N2 O2
SMILES:NCC(N)c1ccc2OCCOc2c1
InChi:InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
VJO
VJO
Name:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
Formula:C9 H11 N O4 S
SMILES:CS(=O)(=O)Nc1ccc2OCCOc2c1
InChi:InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
VYK
VYK
Name:N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide
Formula:C10 H13 Cl N2 O
SMILES:Clc1cc(CN(C)CC(N)=O)ccc1
InChi:InChI=1S/C10H13ClN2O/c1-13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H2,12,14)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide
VYO
VYO
Name:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Formula:C5 H7 N3 O2 S2
SMILES:O=C(OC)CSc1nnc(N)s1
InChi:InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
VJY
VJY
Name:N-[(5-acetylthiophen-2-yl)methyl]acetamide
Formula:C9 H11 N O2 S
SMILES:O=C(C)NCc1ccc(s1)C(C)=O
InChi:InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-[(5-acetylthiophen-2-yl)methyl]acetamide

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数据于2024-11-06公开中

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